16-methylheptadecyl carbamate

C19H39NO2 — CID 175072884

IUPAC16-methylheptadecyl carbamate
SMILESCC(C)CCCCCCCCCCCCCCCOC(N)=O
InChIInChI=1S/C19H39NO2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-22-19(20)21/h18H,3-17H2,1-2H3,(H2,20,21)
InChIKeyNPMKHZNQPKQVJR-UHFFFAOYSA-N
MW313.53 g/mol
LogP6.20
Rot. Bonds16

About 16-methylheptadecyl carbamate

16-methylheptadecyl carbamate (PubChem CID 175072884) has the molecular formula C19H39NO2 and a molecular weight of 313.53 g/mol. Its IUPAC name is 16-methylheptadecyl carbamate.

Molecular Properties

Compound Name16-methylheptadecyl carbamate
PubChem CID175072884
Molecular FormulaC19H39NO2
Molecular Weight313.53 g/mol
Exact Mass313.30
IUPAC Name16-methylheptadecyl carbamate
SMILESCC(C)CCCCCCCCCCCCCCCOC(N)=O
InChIInChI=1S/C19H39NO2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-22-19(20)21/h18H,3-17H2,1-2H3,(H2,20,21)
InChIKeyNPMKHZNQPKQVJR-UHFFFAOYSA-N
XLogP6.20
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.53
LogP ≤ 56.20
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

14-methylpentadecyl carbamate
CID 175375850
bis(8-methylnonyl) carbonate
CID 23302119
bis(14-methylpentadecyl) oxalate
CID 88541014
6-methylheptyl acetate
CID 175958030
bis(6-methylheptyl) 2,3-dihydroxybutanedioate
CID 87505003
16-methylheptadecyl (2S)-2-aminopropanoate
CID 138561160
bis(6-methylheptyl) propanedioate
CID 141192474
9-carbamoyloxynonyl carbamate
CID 87883969
14-methylpentadecyl 13-methyltetradecanoate
CID 139914439
14-methylpentadecyl 9-methyldecanoate
CID 139914480
6-methylheptyl 2-hydroxyacetate
CID 139509874
9-methyldecyl 13-methyltetradecanoate
CID 139914399

Frequently Asked Questions

What is the IUPAC name of 16-methylheptadecyl carbamate?
The IUPAC name of 16-methylheptadecyl carbamate (CID 175072884) is 16-methylheptadecyl carbamate.
What is the SMILES notation for 16-methylheptadecyl carbamate?
The canonical SMILES for 16-methylheptadecyl carbamate is CC(C)CCCCCCCCCCCCCCCOC(N)=O.
What is the InChIKey of 16-methylheptadecyl carbamate?
The InChIKey is NPMKHZNQPKQVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-22-19(20)21/h18H,3-17H2,1-2H3,(H2,20,21).
What are the key properties of 16-methylheptadecyl carbamate?
16-methylheptadecyl carbamate has a molecular weight of 313.53 g/mol, XLogP of 6.20, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methylheptadecyl carbamate is sourced from PubChem (CID 175072884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).