14-methylpentadecyl carbamate

C17H35NO2 — CID 175375850

IUPAC14-methylpentadecyl carbamate
SMILESCC(C)CCCCCCCCCCCCCOC(N)=O
InChIInChI=1S/C17H35NO2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-20-17(18)19/h16H,3-15H2,1-2H3,(H2,18,19)
InChIKeyBNZQSNRFGQOLEJ-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.42
Rot. Bonds14

About 14-methylpentadecyl carbamate

14-methylpentadecyl carbamate (PubChem CID 175375850) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 14-methylpentadecyl carbamate.

Molecular Properties

Compound Name14-methylpentadecyl carbamate
PubChem CID175375850
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name14-methylpentadecyl carbamate
SMILESCC(C)CCCCCCCCCCCCCOC(N)=O
InChIInChI=1S/C17H35NO2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-20-17(18)19/h16H,3-15H2,1-2H3,(H2,18,19)
InChIKeyBNZQSNRFGQOLEJ-UHFFFAOYSA-N
XLogP5.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.47
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

16-methylheptadecyl carbamate
CID 175072884
bis(8-methylnonyl) carbonate
CID 23302119
bis(14-methylpentadecyl) oxalate
CID 88541014
6-methylheptyl acetate
CID 175958030
16-methylheptadecyl (2S)-2-aminopropanoate
CID 138561160
bis(6-methylheptyl) propanedioate
CID 141192474
bis(6-methylheptyl) 2,3-dihydroxybutanedioate
CID 87505003
9-carbamoyloxynonyl carbamate
CID 87883969
14-methylpentadecyl 13-methyltetradecanoate
CID 139914439
9-methyldecyl 13-methyltetradecanoate
CID 139914399
10-methylundecyl 9-methyldecanoate
CID 139914472
bis(10-methylundecyl) octanedioate
CID 121388088

Frequently Asked Questions

What is the IUPAC name of 14-methylpentadecyl carbamate?
The IUPAC name of 14-methylpentadecyl carbamate (CID 175375850) is 14-methylpentadecyl carbamate.
What is the SMILES notation for 14-methylpentadecyl carbamate?
The canonical SMILES for 14-methylpentadecyl carbamate is CC(C)CCCCCCCCCCCCCOC(N)=O.
What is the InChIKey of 14-methylpentadecyl carbamate?
The InChIKey is BNZQSNRFGQOLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-20-17(18)19/h16H,3-15H2,1-2H3,(H2,18,19).
What are the key properties of 14-methylpentadecyl carbamate?
14-methylpentadecyl carbamate has a molecular weight of 285.47 g/mol, XLogP of 5.42, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methylpentadecyl carbamate is sourced from PubChem (CID 175375850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).