2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-prop-2-ynylacetamide

C12H22N2O3 — CID 112732359

IUPAC2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN(CCOC)C(C)COC
InChIInChI=1S/C12H22N2O3/c1-5-6-13-12(15)9-14(7-8-16-3)11(2)10-17-4/h1,11H,6-10H2,2-4H3,(H,13,15)
InChIKeyROMBMNQXKDMPSH-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.28
Rot. Bonds9

About 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-prop-2-ynylacetamide

2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-prop-2-ynylacetamide (PubChem CID 112732359) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-prop-2-ynylacetamide
PubChem CID112732359
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN(CCOC)C(C)COC
InChIInChI=1S/C12H22N2O3/c1-5-6-13-12(15)9-14(7-8-16-3)11(2)10-17-4/h1,11H,6-10H2,2-4H3,(H,13,15)
InChIKeyROMBMNQXKDMPSH-UHFFFAOYSA-N
XLogP-0.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]acetate
CID 61067688
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]acetamide
CID 61072169
2-[2-cyanoethyl(2-methoxyethyl)amino]-N-prop-2-ynylacetamide
CID 63286666
2-[cyclopropylmethyl(propan-2-yl)amino]-N-prop-2-ynylacetamide
CID 112731200
methyl 2-[methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]acetate
CID 60673152
2-[4-methoxybutan-2-yl(2-methoxyethyl)amino]acetic acid
CID 65067403
N-(2-methoxyethyl)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-pentan-3-ylamino]acetamide
CID 55640369
N-(1-methoxypropan-2-yl)-N-methyl-2-(prop-2-ynylamino)acetamide
CID 79287394
2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-prop-2-ynylacetamide
CID 112726197
3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-1-ol
CID 61067521
2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-3-methoxypropanoic acid
CID 103224639
N-(2-methoxyethyl)-2-[methyl(prop-2-ynyl)amino]acetamide
CID 60691530

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-prop-2-ynylacetamide (CID 112732359) is 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-prop-2-ynylacetamide is C#CCNC(=O)CN(CCOC)C(C)COC.
What is the InChIKey of 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-prop-2-ynylacetamide?
The InChIKey is ROMBMNQXKDMPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-5-6-13-12(15)9-14(7-8-16-3)11(2)10-17-4/h1,11H,6-10H2,2-4H3,(H,13,15).
What are the key properties of 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-prop-2-ynylacetamide?
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-prop-2-ynylacetamide has a molecular weight of 242.32 g/mol, XLogP of -0.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-prop-2-ynylacetamide is sourced from PubChem (CID 112732359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).