2-decyltetradecyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate

C37H65NO2 — CID 59188220

IUPAC2-decyltetradecyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)OCC(CCCCCCCCCC)CCCCCCCCCCCC)c1
InChIInChI=1S/C37H65NO2/c1-7-9-11-13-15-17-18-20-22-24-27-33(26-23-21-19-16-14-12-10-8-2)31-40-36(39)38-37(5,6)35-29-25-28-34(30-35)32(3)4/h25,28-30,33H,3,7-24,26-27,31H2,1-2,4-6H3,(H,38,39)
InChIKeyNQJVHDQNEPKWLM-UHFFFAOYSA-N
MW555.93 g/mol
LogP12.14
Rot. Bonds25

About 2-decyltetradecyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate

2-decyltetradecyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate (PubChem CID 59188220) has the molecular formula C37H65NO2 and a molecular weight of 555.93 g/mol. Its IUPAC name is 2-decyltetradecyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate.

Molecular Properties

Compound Name2-decyltetradecyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
PubChem CID59188220
Molecular FormulaC37H65NO2
Molecular Weight555.93 g/mol
Exact Mass555.50
IUPAC Name2-decyltetradecyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)OCC(CCCCCCCCCC)CCCCCCCCCCCC)c1
InChIInChI=1S/C37H65NO2/c1-7-9-11-13-15-17-18-20-22-24-27-33(26-23-21-19-16-14-12-10-8-2)31-40-36(39)38-37(5,6)35-29-25-28-34(30-35)32(3)4/h25,28-30,33H,3,7-24,26-27,31H2,1-2,4-6H3,(H,38,39)
InChIKeyNQJVHDQNEPKWLM-UHFFFAOYSA-N
XLogP12.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.93
LogP ≤ 512.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-decyltetradecyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-decyltetradecyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate?
The IUPAC name of 2-decyltetradecyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate (CID 59188220) is 2-decyltetradecyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate.
What is the SMILES notation for 2-decyltetradecyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate?
The canonical SMILES for 2-decyltetradecyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate is C=C(C)c1cccc(C(C)(C)NC(=O)OCC(CCCCCCCCCC)CCCCCCCCCCCC)c1.
What is the InChIKey of 2-decyltetradecyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate?
The InChIKey is NQJVHDQNEPKWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H65NO2/c1-7-9-11-13-15-17-18-20-22-24-27-33(26-23-21-19-16-14-12-10-8-2)31-40-36(39)38-37(5,6)35-29-25-28-34(30-35)32(3)4/h25,28-30,33H,3,7-24,26-27,31H2,1-2,4-6H3,(H,38,39).
What are the key properties of 2-decyltetradecyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate?
2-decyltetradecyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate has a molecular weight of 555.93 g/mol, XLogP of 12.14, 25 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyltetradecyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate is sourced from PubChem (CID 59188220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).