decyl-[2-(methylamino)-2-oxoethyl]carbamic acid

C14H28N2O3 — CID 87240984

IUPACdecyl-[2-(methylamino)-2-oxoethyl]carbamic acid
SMILESCCCCCCCCCCN(CC(=O)NC)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-3-4-5-6-7-8-9-10-11-16(14(18)19)12-13(17)15-2/h3-12H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyHYYFUDFYVIUPKX-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.85
Rot. Bonds11

About decyl-[2-(methylamino)-2-oxoethyl]carbamic acid

decyl-[2-(methylamino)-2-oxoethyl]carbamic acid (PubChem CID 87240984) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is decyl-[2-(methylamino)-2-oxoethyl]carbamic acid.

Molecular Properties

Compound Namedecyl-[2-(methylamino)-2-oxoethyl]carbamic acid
PubChem CID87240984
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Namedecyl-[2-(methylamino)-2-oxoethyl]carbamic acid
SMILESCCCCCCCCCCN(CC(=O)NC)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-3-4-5-6-7-8-9-10-11-16(14(18)19)12-13(17)15-2/h3-12H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyHYYFUDFYVIUPKX-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(methylamino)-2-oxoethyl]-pentadecylcarbamic acid
CID 87240875
hexadec-9-enyl-[2-(methylamino)-2-oxoethyl]carbamic acid
CID 173040068
2-[dodecyl(methyl)amino]-N-methylacetamide
CID 87591465
hexyl(octadecyl)carbamic acid
CID 87702094
dihexylcarbamic acid;N-hexylhexan-1-amine
CID 174945078
2-[butyl(methyl)amino]-N-methylacetamide
CID 123914364
[2-(methylamino)-2-oxoethyl] N,N-dihexylcarbamate
CID 11960466
(2-amino-2-oxoethyl)-[(Z)-octadec-6-enyl]carbamic acid
CID 87240957
butyl(hydroxymethyl)carbamic acid
CID 175092275
N',N'-dibutyl-N-methylpropanediamide
CID 58195820
3-methyl-1-pentyl-1-propylurea
CID 134269758
N,N,N',N'-tetrahexyloxamide
CID 6424911

Frequently Asked Questions

What is the IUPAC name of decyl-[2-(methylamino)-2-oxoethyl]carbamic acid?
The IUPAC name of decyl-[2-(methylamino)-2-oxoethyl]carbamic acid (CID 87240984) is decyl-[2-(methylamino)-2-oxoethyl]carbamic acid.
What is the SMILES notation for decyl-[2-(methylamino)-2-oxoethyl]carbamic acid?
The canonical SMILES for decyl-[2-(methylamino)-2-oxoethyl]carbamic acid is CCCCCCCCCCN(CC(=O)NC)C(=O)O.
What is the InChIKey of decyl-[2-(methylamino)-2-oxoethyl]carbamic acid?
The InChIKey is HYYFUDFYVIUPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-3-4-5-6-7-8-9-10-11-16(14(18)19)12-13(17)15-2/h3-12H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of decyl-[2-(methylamino)-2-oxoethyl]carbamic acid?
decyl-[2-(methylamino)-2-oxoethyl]carbamic acid has a molecular weight of 272.39 g/mol, XLogP of 2.85, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-[2-(methylamino)-2-oxoethyl]carbamic acid is sourced from PubChem (CID 87240984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).