hexadecyl(methyl)carbamic acid

C18H37NO2 — CID 15173799

IUPAChexadecyl(methyl)carbamic acid
SMILESCCCCCCCCCCCCCCCCN(C)C(=O)O
InChIInChI=1S/C18H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2)18(20)21/h3-17H2,1-2H3,(H,20,21)
InChIKeyGAFSQFPFWGDVAE-UHFFFAOYSA-N
MW299.50 g/mol
LogP6.08
Rot. Bonds15

About hexadecyl(methyl)carbamic acid

hexadecyl(methyl)carbamic acid (PubChem CID 15173799) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is hexadecyl(methyl)carbamic acid.

Molecular Properties

Compound Namehexadecyl(methyl)carbamic acid
PubChem CID15173799
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Namehexadecyl(methyl)carbamic acid
SMILESCCCCCCCCCCCCCCCCN(C)C(=O)O
InChIInChI=1S/C18H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2)18(20)21/h3-17H2,1-2H3,(H,20,21)
InChIKeyGAFSQFPFWGDVAE-UHFFFAOYSA-N
XLogP6.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.50
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxypentyl(methyl)carbamic acid
CID 90197062
N-decyl-N-methylacetamide
CID 22114742
ethane;N-methyl-N-octylacetamide
CID 142531459
N-hexyl-N-methylcarbamoyl chloride
CID 23509235
carbonic acid;N,N-dimethyldecan-1-amine
CID 174565539
hexyl(octadecyl)carbamic acid
CID 87702094
N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
2-[hexyl(methyl)amino]acetic acid
CID 10197909
methyl-(6-oxo-6-undecoxyhexyl)carbamic acid;undecyl N-methyl-N-pentylcarbamate
CID 173281118
2-[butyl(methyl)amino]-2-oxoacetic acid
CID 28710534
CID 87839414
CID 87839414

Frequently Asked Questions

What is the IUPAC name of hexadecyl(methyl)carbamic acid?
The IUPAC name of hexadecyl(methyl)carbamic acid (CID 15173799) is hexadecyl(methyl)carbamic acid.
What is the SMILES notation for hexadecyl(methyl)carbamic acid?
The canonical SMILES for hexadecyl(methyl)carbamic acid is CCCCCCCCCCCCCCCCN(C)C(=O)O.
What is the InChIKey of hexadecyl(methyl)carbamic acid?
The InChIKey is GAFSQFPFWGDVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2)18(20)21/h3-17H2,1-2H3,(H,20,21).
What are the key properties of hexadecyl(methyl)carbamic acid?
hexadecyl(methyl)carbamic acid has a molecular weight of 299.50 g/mol, XLogP of 6.08, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl(methyl)carbamic acid is sourced from PubChem (CID 15173799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).