ethyl N-[1-[1-(4-bromophenyl)propan-2-ylamino]-3-methyl-1-oxobutan-2-yl]carbamate

C17H25BrN2O3 — CID 55848909

IUPACethyl N-[1-[1-(4-bromophenyl)propan-2-ylamino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCCOC(=O)NC(C(=O)NC(C)Cc1ccc(Br)cc1)C(C)C
InChIInChI=1S/C17H25BrN2O3/c1-5-23-17(22)20-15(11(2)3)16(21)19-12(4)10-13-6-8-14(18)9-7-13/h6-9,11-12,15H,5,10H2,1-4H3,(H,19,21)(H,20,22)
InChIKeySZVLPBPHQZEIBE-UHFFFAOYSA-N
MW385.30 g/mol
LogP3.27
Rot. Bonds7

About ethyl N-[1-[1-(4-bromophenyl)propan-2-ylamino]-3-methyl-1-oxobutan-2-yl]carbamate

ethyl N-[1-[1-(4-bromophenyl)propan-2-ylamino]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 55848909) has the molecular formula C17H25BrN2O3 and a molecular weight of 385.30 g/mol. Its IUPAC name is ethyl N-[1-[1-(4-bromophenyl)propan-2-ylamino]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[1-(4-bromophenyl)propan-2-ylamino]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID55848909
Molecular FormulaC17H25BrN2O3
Molecular Weight385.30 g/mol
Exact Mass384.10
IUPAC Nameethyl N-[1-[1-(4-bromophenyl)propan-2-ylamino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCCOC(=O)NC(C(=O)NC(C)Cc1ccc(Br)cc1)C(C)C
InChIInChI=1S/C17H25BrN2O3/c1-5-23-17(22)20-15(11(2)3)16(21)19-12(4)10-13-6-8-14(18)9-7-13/h6-9,11-12,15H,5,10H2,1-4H3,(H,19,21)(H,20,22)
InChIKeySZVLPBPHQZEIBE-UHFFFAOYSA-N
XLogP3.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl N-[1-[1-(4-bromophenyl)propan-2-ylamino]-3-methyl-1-oxobutan-2-yl]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

(2S)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]butanamide
CID 79024112
N-[1-(4-bromophenyl)propan-2-yl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 55717101
(2R)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]propanamide;hydrochloride
CID 119295652
(2S)-3-(4-bromophenyl)-2-(ethoxycarbonylamino)propanoic acid
CID 174659281
ethyl N-[(2R)-3-methyl-1-[[(2R)-3-methylbutan-2-yl]amino]-1-oxobutan-2-yl]carbamate
CID 97029169
ethyl (2S)-3-(4-bromophenyl)-2-methylpropanoate
CID 129395857
ethyl N-[(2S)-3-methyl-1-[[(2S)-3-methylbutan-2-yl]amino]-1-oxobutan-2-yl]carbamate
CID 97029166
N-[1-(4-bromophenyl)propan-2-yl]-2-propan-2-ylsulfonylpropanamide
CID 51123377
diethyl 2-[(4-bromophenyl)methyl]propanedioate
CID 10860456
3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropanoic acid
CID 62230124
N-[1-[1-(4-bromophenyl)propan-2-ylamino]-3-methyl-1-oxobutan-2-yl]-2-chloro-4-nitrobenzamide
CID 55778451
ethyl N-[(1S)-1-(4-bromophenyl)propyl]carbamate
CID 95358471

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[1-(4-bromophenyl)propan-2-ylamino]-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of ethyl N-[1-[1-(4-bromophenyl)propan-2-ylamino]-3-methyl-1-oxobutan-2-yl]carbamate (CID 55848909) is ethyl N-[1-[1-(4-bromophenyl)propan-2-ylamino]-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[1-(4-bromophenyl)propan-2-ylamino]-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for ethyl N-[1-[1-(4-bromophenyl)propan-2-ylamino]-3-methyl-1-oxobutan-2-yl]carbamate is CCOC(=O)NC(C(=O)NC(C)Cc1ccc(Br)cc1)C(C)C.
What is the InChIKey of ethyl N-[1-[1-(4-bromophenyl)propan-2-ylamino]-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is SZVLPBPHQZEIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O3/c1-5-23-17(22)20-15(11(2)3)16(21)19-12(4)10-13-6-8-14(18)9-7-13/h6-9,11-12,15H,5,10H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of ethyl N-[1-[1-(4-bromophenyl)propan-2-ylamino]-3-methyl-1-oxobutan-2-yl]carbamate?
ethyl N-[1-[1-(4-bromophenyl)propan-2-ylamino]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 385.30 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[1-(4-bromophenyl)propan-2-ylamino]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 55848909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).