ethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate

C14H20N2O3 — CID 60723628

IUPACethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C14H20N2O3/c1-5-19-13(18)16-11-8-6-7-10(9-11)15-12(17)14(2,3)4/h6-9H,5H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyHKFUTCBFWFWXJY-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.24
Rot. Bonds3

About ethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate

ethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate (PubChem CID 60723628) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate
PubChem CID60723628
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C14H20N2O3/c1-5-19-13(18)16-11-8-6-7-10(9-11)15-12(17)14(2,3)4/h6-9H,5H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyHKFUTCBFWFWXJY-UHFFFAOYSA-N
XLogP3.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl N-[3-(2,2-dimethylpropanoylamino)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

ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate
CID 110178338
ethyl N-[3-(2,3-dihydroxypropylamino)phenyl]carbamate
CID 168597581
N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54836795
ethyl 2-[[3-(2,2-dimethylpropanoylamino)anilino]methyl]furan-3-carboxylate
CID 24662485
ethyl N-(3-propoxyphenyl)carbamate
CID 60643143
ethyl N-[3-(difluoromethoxy)phenyl]carbamate
CID 61062462
N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-propylpentanamide
CID 17296409
ethyl N-[3-[(2-fluorobenzoyl)amino]phenyl]carbamate
CID 847946
2,2-dimethyl-N-[3-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanamide
CID 26163504
N-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide
CID 38160075

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate?
The IUPAC name of ethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate (CID 60723628) is ethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate?
The canonical SMILES for ethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate is CCOC(=O)Nc1cccc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of ethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate?
The InChIKey is HKFUTCBFWFWXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-5-19-13(18)16-11-8-6-7-10(9-11)15-12(17)14(2,3)4/h6-9H,5H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of ethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate?
ethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate has a molecular weight of 264.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate is sourced from PubChem (CID 60723628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).