tris(N-ethyl-2-[formyl(methyl)amino]-N-methylacetamide);N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(propan-2-yl)amino]acetamide;2-[formyl(methyl)amino]acetic acid

C37H74N10O11 — CID 176672156

IUPACtris(N-ethyl-2-[formyl(methyl)amino]-N-methylacetamide);N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(propan-2-yl)amino]acetamide;2-[formyl(methyl)amino]acetic acid
SMILESCCN(C)C(=O)CN(C)C(=O)CN(C)C(C)C.CCN(C)C(=O)CN(C)C=O.CCN(C)C(=O)CN(C)C=O.CCN(C)C(=O)CN(C)C=O.CN(C=O)CC(=O)O
InChIInChI=1S/C12H25N3O2.3C7H14N2O2.C4H7NO3/c1-7-13(4)11(16)9-15(6)12(17)8-14(5)10(2)3;3*1-4-9(3)7(11)5-8(2)6-10;1-5(3-6)2-4(7)8/h10H,7-9H2,1-6H3;3*6H,4-5H2,1-3H3;3H,2H2,1H3,(H,7,8)
InChIKeyVPFGDMRTSSQXNF-UHFFFAOYSA-N
MW835.06 g/mol
LogP-1.92
Rot. Bonds21

About tris(N-ethyl-2-[formyl(methyl)amino]-N-methylacetamide);N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(propan-2-yl)amino]acetamide;2-[formyl(methyl)amino]acetic acid

tris(N-ethyl-2-[formyl(methyl)amino]-N-methylacetamide);N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(propan-2-yl)amino]acetamide;2-[formyl(methyl)amino]acetic acid (PubChem CID 176672156) has the molecular formula C37H74N10O11 and a molecular weight of 835.06 g/mol. Its IUPAC name is tris(N-ethyl-2-[formyl(methyl)amino]-N-methylacetamide);N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(propan-2-yl)amino]acetamide;2-[formyl(methyl)amino]acetic acid.

Molecular Properties

Compound Nametris(N-ethyl-2-[formyl(methyl)amino]-N-methylacetamide);N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(propan-2-yl)amino]acetamide;2-[formyl(methyl)amino]acetic acid
PubChem CID176672156
Molecular FormulaC37H74N10O11
Molecular Weight835.06 g/mol
Exact Mass834.55
IUPAC Nametris(N-ethyl-2-[formyl(methyl)amino]-N-methylacetamide);N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(propan-2-yl)amino]acetamide;2-[formyl(methyl)amino]acetic acid
SMILESCCN(C)C(=O)CN(C)C(=O)CN(C)C(C)C.CCN(C)C(=O)CN(C)C=O.CCN(C)C(=O)CN(C)C=O.CCN(C)C(=O)CN(C)C=O.CN(C=O)CC(=O)O
InChIInChI=1S/C12H25N3O2.3C7H14N2O2.C4H7NO3/c1-7-13(4)11(16)9-15(6)12(17)8-14(5)10(2)3;3*1-4-9(3)7(11)5-8(2)6-10;1-5(3-6)2-4(7)8/h10H,7-9H2,1-6H3;3*6H,4-5H2,1-3H3;3H,2H2,1H3,(H,7,8)
InChIKeyVPFGDMRTSSQXNF-UHFFFAOYSA-N
XLogP-1.92
TPSA223.33 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.06
LogP ≤ 5-1.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)acetaldehyde;2-(dimethylamino)-N-ethyl-N-methylacetamide;2-(dimethylamino)-N-methyl-N-(2-oxoethyl)acetamide;2-[formyl(methyl)amino]-N-methyl-N-(2-oxoethyl)acetamide;methanamine;N-methyl-N-[2-[methyl(2-oxoethyl)amino]-2-oxoethyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 176672042
2-[formyl(methyl)amino]acetic acid;hydrochloride
CID 141101166
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839636
N-(2-aminoethyl)formamide;[ethyl(methyl)amino]methanone;N-[2-[[2-[[2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-2-[formyl(methyl)amino]-N-methylacetamide;fermium
CID 176959908
N-[2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-2-formamido-N-methylacetamide
CID 177177439
N-butyl-2-[methyl-[2-[methyl-[2-[methyl(propan-2-yl)amino]acetyl]amino]acetyl]amino]acetamide
CID 177167159
N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[formyl(methyl)amino]acetyl]amino]-N-methylacetamide;N-ethylpropan-2-amine;2-[[2-[[2-[formyl(methyl)amino]acetyl]amino]acetyl]-methylamino]acetic acid
CID 176672097
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79274369
N-ethyl-N-methyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide
CID 62639952
2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetic acid
CID 43356271
3-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]-propan-2-ylamino]propanoic acid
CID 61455997
(3R)-N-ethyl-N,3-dimethyl-4-oxobutanamide
CID 163561617

Frequently Asked Questions

What is the IUPAC name of tris(N-ethyl-2-[formyl(methyl)amino]-N-methylacetamide);N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(propan-2-yl)amino]acetamide;2-[formyl(methyl)amino]acetic acid?
The IUPAC name of tris(N-ethyl-2-[formyl(methyl)amino]-N-methylacetamide);N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(propan-2-yl)amino]acetamide;2-[formyl(methyl)amino]acetic acid (CID 176672156) is tris(N-ethyl-2-[formyl(methyl)amino]-N-methylacetamide);N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(propan-2-yl)amino]acetamide;2-[formyl(methyl)amino]acetic acid.
What is the SMILES notation for tris(N-ethyl-2-[formyl(methyl)amino]-N-methylacetamide);N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(propan-2-yl)amino]acetamide;2-[formyl(methyl)amino]acetic acid?
The canonical SMILES for tris(N-ethyl-2-[formyl(methyl)amino]-N-methylacetamide);N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(propan-2-yl)amino]acetamide;2-[formyl(methyl)amino]acetic acid is CCN(C)C(=O)CN(C)C(=O)CN(C)C(C)C.CCN(C)C(=O)CN(C)C=O.CCN(C)C(=O)CN(C)C=O.CCN(C)C(=O)CN(C)C=O.CN(C=O)CC(=O)O.
What is the InChIKey of tris(N-ethyl-2-[formyl(methyl)amino]-N-methylacetamide);N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(propan-2-yl)amino]acetamide;2-[formyl(methyl)amino]acetic acid?
The InChIKey is VPFGDMRTSSQXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2.3C7H14N2O2.C4H7NO3/c1-7-13(4)11(16)9-15(6)12(17)8-14(5)10(2)3;3*1-4-9(3)7(11)5-8(2)6-10;1-5(3-6)2-4(7)8/h10H,7-9H2,1-6H3;3*6H,4-5H2,1-3H3;3H,2H2,1H3,(H,7,8).
What are the key properties of tris(N-ethyl-2-[formyl(methyl)amino]-N-methylacetamide);N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(propan-2-yl)amino]acetamide;2-[formyl(methyl)amino]acetic acid?
tris(N-ethyl-2-[formyl(methyl)amino]-N-methylacetamide);N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(propan-2-yl)amino]acetamide;2-[formyl(methyl)amino]acetic acid has a molecular weight of 835.06 g/mol, XLogP of -1.92, 21 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tris(N-ethyl-2-[formyl(methyl)amino]-N-methylacetamide);N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(propan-2-yl)amino]acetamide;2-[formyl(methyl)amino]acetic acid is sourced from PubChem (CID 176672156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).