[2-(methylamino)-2-oxoethyl]-pentadecylcarbamic acid

C19H38N2O3 — CID 87240875

IUPAC[2-(methylamino)-2-oxoethyl]-pentadecylcarbamic acid
SMILESCCCCCCCCCCCCCCCN(CC(=O)NC)C(=O)O
InChIInChI=1S/C19H38N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(19(23)24)17-18(22)20-2/h3-17H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyLYADKOFXHNMGBS-UHFFFAOYSA-N
MW342.52 g/mol
LogP4.80
Rot. Bonds16

About [2-(methylamino)-2-oxoethyl]-pentadecylcarbamic acid

[2-(methylamino)-2-oxoethyl]-pentadecylcarbamic acid (PubChem CID 87240875) has the molecular formula C19H38N2O3 and a molecular weight of 342.52 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl]-pentadecylcarbamic acid.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl]-pentadecylcarbamic acid
PubChem CID87240875
Molecular FormulaC19H38N2O3
Molecular Weight342.52 g/mol
Exact Mass342.29
IUPAC Name[2-(methylamino)-2-oxoethyl]-pentadecylcarbamic acid
SMILESCCCCCCCCCCCCCCCN(CC(=O)NC)C(=O)O
InChIInChI=1S/C19H38N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(19(23)24)17-18(22)20-2/h3-17H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyLYADKOFXHNMGBS-UHFFFAOYSA-N
XLogP4.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.52
LogP ≤ 54.80
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

decyl-[2-(methylamino)-2-oxoethyl]carbamic acid
CID 87240984
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 [2-(methylamino)-2-oxoethyl]-pentadecylcarbamic acid?
The IUPAC name of [2-(methylamino)-2-oxoethyl]-pentadecylcarbamic acid (CID 87240875) is [2-(methylamino)-2-oxoethyl]-pentadecylcarbamic acid.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl]-pentadecylcarbamic acid?
The canonical SMILES for [2-(methylamino)-2-oxoethyl]-pentadecylcarbamic acid is CCCCCCCCCCCCCCCN(CC(=O)NC)C(=O)O.
What is the InChIKey of [2-(methylamino)-2-oxoethyl]-pentadecylcarbamic acid?
The InChIKey is LYADKOFXHNMGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(19(23)24)17-18(22)20-2/h3-17H2,1-2H3,(H,20,22)(H,23,24).
What are the key properties of [2-(methylamino)-2-oxoethyl]-pentadecylcarbamic acid?
[2-(methylamino)-2-oxoethyl]-pentadecylcarbamic acid has a molecular weight of 342.52 g/mol, XLogP of 4.80, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl]-pentadecylcarbamic acid is sourced from PubChem (CID 87240875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).