2-(2-methylphenyl)ethyl N-[(3-hydroxybenzoyl)amino]carbamate

C17H18N2O4 — CID 6736632

IUPAC2-(2-methylphenyl)ethyl N-[(3-hydroxybenzoyl)amino]carbamate
SMILESCc1ccccc1CCOC(=O)NNC(=O)c1cccc(O)c1
InChIInChI=1S/C17H18N2O4/c1-12-5-2-3-6-13(12)9-10-23-17(22)19-18-16(21)14-7-4-8-15(20)11-14/h2-8,11,20H,9-10H2,1H3,(H,18,21)(H,19,22)
InChIKeyPBHCXDNVHSKQHP-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.31
Rot. Bonds4

About 2-(2-methylphenyl)ethyl N-[(3-hydroxybenzoyl)amino]carbamate

2-(2-methylphenyl)ethyl N-[(3-hydroxybenzoyl)amino]carbamate (PubChem CID 6736632) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-(2-methylphenyl)ethyl N-[(3-hydroxybenzoyl)amino]carbamate.

Molecular Properties

Compound Name2-(2-methylphenyl)ethyl N-[(3-hydroxybenzoyl)amino]carbamate
PubChem CID6736632
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-(2-methylphenyl)ethyl N-[(3-hydroxybenzoyl)amino]carbamate
SMILESCc1ccccc1CCOC(=O)NNC(=O)c1cccc(O)c1
InChIInChI=1S/C17H18N2O4/c1-12-5-2-3-6-13(12)9-10-23-17(22)19-18-16(21)14-7-4-8-15(20)11-14/h2-8,11,20H,9-10H2,1H3,(H,18,21)(H,19,22)
InChIKeyPBHCXDNVHSKQHP-UHFFFAOYSA-N
XLogP2.31
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)ethyl N-[(3-hydroxybenzoyl)amino]carbamate?
The IUPAC name of 2-(2-methylphenyl)ethyl N-[(3-hydroxybenzoyl)amino]carbamate (CID 6736632) is 2-(2-methylphenyl)ethyl N-[(3-hydroxybenzoyl)amino]carbamate.
What is the SMILES notation for 2-(2-methylphenyl)ethyl N-[(3-hydroxybenzoyl)amino]carbamate?
The canonical SMILES for 2-(2-methylphenyl)ethyl N-[(3-hydroxybenzoyl)amino]carbamate is Cc1ccccc1CCOC(=O)NNC(=O)c1cccc(O)c1.
What is the InChIKey of 2-(2-methylphenyl)ethyl N-[(3-hydroxybenzoyl)amino]carbamate?
The InChIKey is PBHCXDNVHSKQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-12-5-2-3-6-13(12)9-10-23-17(22)19-18-16(21)14-7-4-8-15(20)11-14/h2-8,11,20H,9-10H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 2-(2-methylphenyl)ethyl N-[(3-hydroxybenzoyl)amino]carbamate?
2-(2-methylphenyl)ethyl N-[(3-hydroxybenzoyl)amino]carbamate has a molecular weight of 314.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)ethyl N-[(3-hydroxybenzoyl)amino]carbamate is sourced from PubChem (CID 6736632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).