phenyl N-[2-(3-aminoprop-1-ynyl)phenyl]carbamate

C16H14N2O2 — CID 60813930

IUPACphenyl N-[2-(3-aminoprop-1-ynyl)phenyl]carbamate
SMILESNCC#Cc1ccccc1NC(=O)Oc1ccccc1
InChIInChI=1S/C16H14N2O2/c17-12-6-8-13-7-4-5-11-15(13)18-16(19)20-14-9-2-1-3-10-14/h1-5,7,9-11H,12,17H2,(H,18,19)
InChIKeyGROJZAMSDHWCEJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.61
Rot. Bonds2

About phenyl N-[2-(3-aminoprop-1-ynyl)phenyl]carbamate

phenyl N-[2-(3-aminoprop-1-ynyl)phenyl]carbamate (PubChem CID 60813930) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is phenyl N-[2-(3-aminoprop-1-ynyl)phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-(3-aminoprop-1-ynyl)phenyl]carbamate
PubChem CID60813930
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Namephenyl N-[2-(3-aminoprop-1-ynyl)phenyl]carbamate
SMILESNCC#Cc1ccccc1NC(=O)Oc1ccccc1
InChIInChI=1S/C16H14N2O2/c17-12-6-8-13-7-4-5-11-15(13)18-16(19)20-14-9-2-1-3-10-14/h1-5,7,9-11H,12,17H2,(H,18,19)
InChIKeyGROJZAMSDHWCEJ-UHFFFAOYSA-N
XLogP2.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-aminoprop-1-ynyl)phenyl]-2-ethylbutanamide
CID 60804807
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603656
phenyl N-[2-(2-aminoethoxy)phenyl]carbamate
CID 43369849
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide
CID 60802368
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propoxyacetamide
CID 107940414
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propylpentanamide
CID 82987618
N-[2-(3-aminoprop-1-ynyl)phenyl]thiophene-2-carboxamide
CID 54923009
N-[2-(3-aminoprop-1-ynyl)phenyl]thiadiazole-5-carboxamide
CID 65215727
phenyl N-(2-fluorophenyl)carbamate
CID 3790948
N-[2-(3-aminoprop-1-ynyl)phenyl]-4-methylsulfanylbenzamide
CID 79214095
[2-(3-hydroxyprop-1-ynyl)phenyl]urea
CID 60803594
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chloro-5-hydroxybenzamide
CID 106502755

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-(3-aminoprop-1-ynyl)phenyl]carbamate?
The IUPAC name of phenyl N-[2-(3-aminoprop-1-ynyl)phenyl]carbamate (CID 60813930) is phenyl N-[2-(3-aminoprop-1-ynyl)phenyl]carbamate.
What is the SMILES notation for phenyl N-[2-(3-aminoprop-1-ynyl)phenyl]carbamate?
The canonical SMILES for phenyl N-[2-(3-aminoprop-1-ynyl)phenyl]carbamate is NCC#Cc1ccccc1NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-(3-aminoprop-1-ynyl)phenyl]carbamate?
The InChIKey is GROJZAMSDHWCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c17-12-6-8-13-7-4-5-11-15(13)18-16(19)20-14-9-2-1-3-10-14/h1-5,7,9-11H,12,17H2,(H,18,19).
What are the key properties of phenyl N-[2-(3-aminoprop-1-ynyl)phenyl]carbamate?
phenyl N-[2-(3-aminoprop-1-ynyl)phenyl]carbamate has a molecular weight of 266.30 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-(3-aminoprop-1-ynyl)phenyl]carbamate is sourced from PubChem (CID 60813930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).