ethyl N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]carbamate

C13H18N2O3 — CID 60747824

IUPACethyl N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]carbamate
SMILESCCNC(=O)Cc1ccc(NC(=O)OCC)cc1
InChIInChI=1S/C13H18N2O3/c1-3-14-12(16)9-10-5-7-11(8-6-10)15-13(17)18-4-2/h5-8H,3-4,9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyKCMOHQDCRWPCKL-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.93
Rot. Bonds5

About ethyl N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]carbamate

ethyl N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]carbamate (PubChem CID 60747824) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]carbamate
PubChem CID60747824
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethyl N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]carbamate
SMILESCCNC(=O)Cc1ccc(NC(=O)OCC)cc1
InChIInChI=1S/C13H18N2O3/c1-3-14-12(16)9-10-5-7-11(8-6-10)15-13(17)18-4-2/h5-8H,3-4,9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyKCMOHQDCRWPCKL-UHFFFAOYSA-N
XLogP1.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]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

[4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate
CID 162728348
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
N-ethyl-2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]acetamide
CID 115950017
2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-3-methoxypropanamide
CID 81083287
ethyl N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]carbamate
CID 26692275
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065
(2R)-2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-4-methylpentanamide
CID 104902669
ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate
CID 43703992
ethyl 3-[4-(ethoxycarbonylamino)anilino]but-2-enoate
CID 70457432
ethyl N-[4-[(4-bromophenyl)methylamino]phenyl]carbamate
CID 43703857
2-aminoethanol;ethyl N-(4-ethylphenyl)carbamate;tungsten(2+)
CID 58256386
N-ethyl-2-[4-(methanesulfonamido)phenyl]acetamide
CID 60747826

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]carbamate (CID 60747824) is ethyl N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]carbamate is CCNC(=O)Cc1ccc(NC(=O)OCC)cc1.
What is the InChIKey of ethyl N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]carbamate?
The InChIKey is KCMOHQDCRWPCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-14-12(16)9-10-5-7-11(8-6-10)15-13(17)18-4-2/h5-8H,3-4,9H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of ethyl N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]carbamate?
ethyl N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]carbamate has a molecular weight of 250.30 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]carbamate is sourced from PubChem (CID 60747824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).