phenyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate

C17H18N2O3 — CID 108574783

IUPACphenyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate
SMILESCc1ccccc1C(=O)NCCNC(=O)Oc1ccccc1
InChIInChI=1S/C17H18N2O3/c1-13-7-5-6-10-15(13)16(20)18-11-12-19-17(21)22-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyDFXNPMASIPMEIF-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.51
Rot. Bonds5

About phenyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate

phenyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate (PubChem CID 108574783) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is phenyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate
PubChem CID108574783
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namephenyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate
SMILESCc1ccccc1C(=O)NCCNC(=O)Oc1ccccc1
InChIInChI=1S/C17H18N2O3/c1-13-7-5-6-10-15(13)16(20)18-11-12-19-17(21)22-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyDFXNPMASIPMEIF-UHFFFAOYSA-N
XLogP2.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate
CID 108574788
2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108541769
phenyl N-[2-(ethylamino)ethyl]carbamate
CID 62663322
ethane;N-(2-hydroxyethyl)-2-methylbenzamide
CID 143093743
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-methylbenzamide
CID 70545546
phenyl N-(2-hydroxyethyl)carbamate
CID 10932043
phenyl N-(3-methoxypropyl)carbamate
CID 60636020
phenyl N-(4-methoxybutyl)carbamate
CID 61073944
N-[2-(2-chloropropanoylamino)ethyl]-2-methylbenzamide
CID 108574801
tert-butyl N-[2-[2-[(2-methylbenzoyl)amino]ethylamino]-2-oxoethyl]carbamate
CID 108537173
N-(hydroxymethyl)-2-methylbenzamide
CID 5234338
N-(3-bromopropyl)-2-methylbenzamide
CID 43133629

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate?
The IUPAC name of phenyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate (CID 108574783) is phenyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate.
What is the SMILES notation for phenyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate?
The canonical SMILES for phenyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate is Cc1ccccc1C(=O)NCCNC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate?
The InChIKey is DFXNPMASIPMEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-13-7-5-6-10-15(13)16(20)18-11-12-19-17(21)22-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of phenyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate?
phenyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate has a molecular weight of 298.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate is sourced from PubChem (CID 108574783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).