methyl N-(1,3-diphenylprop-2-ynyl)carbamate

C17H15NO2 — CID 102372923

IUPACmethyl N-(1,3-diphenylprop-2-ynyl)carbamate
SMILESCOC(=O)NC(C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H15NO2/c1-20-17(19)18-16(15-10-6-3-7-11-15)13-12-14-8-4-2-5-9-14/h2-11,16H,1H3,(H,18,19)
InChIKeyRLRCJQCXVZICQS-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.14
Rot. Bonds2

About methyl N-(1,3-diphenylprop-2-ynyl)carbamate

methyl N-(1,3-diphenylprop-2-ynyl)carbamate (PubChem CID 102372923) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl N-(1,3-diphenylprop-2-ynyl)carbamate.

Molecular Properties

Compound Namemethyl N-(1,3-diphenylprop-2-ynyl)carbamate
PubChem CID102372923
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Namemethyl N-(1,3-diphenylprop-2-ynyl)carbamate
SMILESCOC(=O)NC(C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H15NO2/c1-20-17(19)18-16(15-10-6-3-7-11-15)13-12-14-8-4-2-5-9-14/h2-11,16H,1H3,(H,18,19)
InChIKeyRLRCJQCXVZICQS-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl N-(1,3-diphenylprop-2-ynyl)carbamate with MolForge

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

Launch Full Analysis

Related Compounds

N-(1,3-diphenylprop-2-ynyl)-3-methylbutanamide
CID 86086708
N-[(1R)-1,3-diphenylprop-2-ynyl]hydroxylamine
CID 134926721
N-(1,3-diphenylprop-2-ynyl)aniline
CID 11196846
tert-butyl N-[(1R)-1-(3-fluoro-2-hydroxyphenyl)-3-phenylprop-2-ynyl]carbamate
CID 134957393
N-[(1S)-1,3-diphenylprop-2-ynyl]-4-methoxybenzenesulfonamide
CID 102410740
methyl 3-(1,3-diphenylprop-2-ynylsulfanyl)propanoate
CID 11232152
methyl (2R,3S)-3-hydroxy-5-(4-methylphenyl)-2-phenylpent-4-ynoate
CID 134846051
N-[(1S)-1-phenylbut-2-ynyl]acetamide
CID 130625953
2-(1,3-diphenylprop-2-ynylamino)-2-phenylethanol
CID 101260861
tert-butyl N-[(2S,3R)-1-hydroxy-3-methoxy-5-phenylpent-4-yn-2-yl]carbamate
CID 10756971
methanol;methyl N-[(1S)-2-oxo-1-phenylethyl]carbamate
CID 144634454
methyl 3-(methoxycarbonylamino)-4-methyl-2-phenylpentanoate
CID 13248569

Frequently Asked Questions

What is the IUPAC name of methyl N-(1,3-diphenylprop-2-ynyl)carbamate?
The IUPAC name of methyl N-(1,3-diphenylprop-2-ynyl)carbamate (CID 102372923) is methyl N-(1,3-diphenylprop-2-ynyl)carbamate.
What is the SMILES notation for methyl N-(1,3-diphenylprop-2-ynyl)carbamate?
The canonical SMILES for methyl N-(1,3-diphenylprop-2-ynyl)carbamate is COC(=O)NC(C#Cc1ccccc1)c1ccccc1.
What is the InChIKey of methyl N-(1,3-diphenylprop-2-ynyl)carbamate?
The InChIKey is RLRCJQCXVZICQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-20-17(19)18-16(15-10-6-3-7-11-15)13-12-14-8-4-2-5-9-14/h2-11,16H,1H3,(H,18,19).
What are the key properties of methyl N-(1,3-diphenylprop-2-ynyl)carbamate?
methyl N-(1,3-diphenylprop-2-ynyl)carbamate has a molecular weight of 265.31 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1,3-diphenylprop-2-ynyl)carbamate is sourced from PubChem (CID 102372923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).