methyl N,N-bis[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]carbamate

C14H25N5O6 — CID 123190583

IUPACmethyl N,N-bis[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]carbamate
SMILESCOC(=O)N(CC(=O)NC(C)(C)C(N)=O)CC(=O)NC(C)(C)C(N)=O
InChIInChI=1S/C14H25N5O6/c1-13(2,10(15)22)17-8(20)6-19(12(24)25-5)7-9(21)18-14(3,4)11(16)23/h6-7H2,1-5H3,(H2,15,22)(H2,16,23)(H,17,20)(H,18,21)
InChIKeyBIWLIAWLBWJGHK-UHFFFAOYSA-N
MW359.38 g/mol
LogP-2.18
Rot. Bonds8

About methyl N,N-bis[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]carbamate

methyl N,N-bis[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]carbamate (PubChem CID 123190583) has the molecular formula C14H25N5O6 and a molecular weight of 359.38 g/mol. Its IUPAC name is methyl N,N-bis[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N,N-bis[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]carbamate
PubChem CID123190583
Molecular FormulaC14H25N5O6
Molecular Weight359.38 g/mol
Exact Mass359.18
IUPAC Namemethyl N,N-bis[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]carbamate
SMILESCOC(=O)N(CC(=O)NC(C)(C)C(N)=O)CC(=O)NC(C)(C)C(N)=O
InChIInChI=1S/C14H25N5O6/c1-13(2,10(15)22)17-8(20)6-19(12(24)25-5)7-9(21)18-14(3,4)11(16)23/h6-7H2,1-5H3,(H2,15,22)(H2,16,23)(H,17,20)(H,18,21)
InChIKeyBIWLIAWLBWJGHK-UHFFFAOYSA-N
XLogP-2.18
TPSA173.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 5-2.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze methyl N,N-bis[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]carbamate with MolForge

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Related Compounds

2-[[2-[[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]-(2-methoxyacetyl)amino]acetyl]amino]-2-methylpropanamide
CID 123426238
4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methoxybutanamide
CID 103155472
N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methylpentanamide
CID 130214691
methyl N-(2-amino-2-oxoethyl)-N-ethylcarbamate
CID 103101669
2-[(2-amino-3-methoxypropanoyl)amino]-2-methylpropanamide
CID 81089472
2-[3-(4-aminocyclohexyl)propanoylamino]-2-methylpropanamide
CID 62782083
tert-butyl 2-[[2-[bis(sulfanyl)methyl-methylamino]acetyl]amino]-2-methylpropanoate
CID 162302848
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-2-methylpropanamide
CID 56819453
2-(hydroxyamino)-2-methylpropanamide
CID 523203
methyl 2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]acetate
CID 134845181
3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,2,3-trimethylbutanamide
CID 65269732
2-methyl-2-[(2-thiophen-2-ylacetyl)amino]propanamide
CID 110475965

Frequently Asked Questions

What is the IUPAC name of methyl N,N-bis[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]carbamate?
The IUPAC name of methyl N,N-bis[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]carbamate (CID 123190583) is methyl N,N-bis[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N,N-bis[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for methyl N,N-bis[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]carbamate is COC(=O)N(CC(=O)NC(C)(C)C(N)=O)CC(=O)NC(C)(C)C(N)=O.
What is the InChIKey of methyl N,N-bis[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]carbamate?
The InChIKey is BIWLIAWLBWJGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O6/c1-13(2,10(15)22)17-8(20)6-19(12(24)25-5)7-9(21)18-14(3,4)11(16)23/h6-7H2,1-5H3,(H2,15,22)(H2,16,23)(H,17,20)(H,18,21).
What are the key properties of methyl N,N-bis[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]carbamate?
methyl N,N-bis[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]carbamate has a molecular weight of 359.38 g/mol, XLogP of -2.18, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,N-bis[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 123190583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).