tert-butyl N-[2-[[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamate

C19H28ClN3O4 — CID 5022023

IUPACtert-butyl N-[2-[[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamate
SMILESCC(C)C(NC(=O)CNC(=O)OC(C)(C)C)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H28ClN3O4/c1-12(2)16(17(25)21-10-13-6-8-14(20)9-7-13)23-15(24)11-22-18(26)27-19(3,4)5/h6-9,12,16H,10-11H2,1-5H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyZOELWKCNBBHPTL-UHFFFAOYSA-N
MW397.90 g/mol
LogP2.62
Rot. Bonds7

About tert-butyl N-[2-[[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamate

tert-butyl N-[2-[[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamate (PubChem CID 5022023) has the molecular formula C19H28ClN3O4 and a molecular weight of 397.90 g/mol. Its IUPAC name is tert-butyl N-[2-[[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamate
PubChem CID5022023
Molecular FormulaC19H28ClN3O4
Molecular Weight397.90 g/mol
Exact Mass397.18
IUPAC Nametert-butyl N-[2-[[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamate
SMILESCC(C)C(NC(=O)CNC(=O)OC(C)(C)C)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H28ClN3O4/c1-12(2)16(17(25)21-10-13-6-8-14(20)9-7-13)23-15(24)11-22-18(26)27-19(3,4)5/h6-9,12,16H,10-11H2,1-5H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyZOELWKCNBBHPTL-UHFFFAOYSA-N
XLogP2.62
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.90
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]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

tert-butyl N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamate
CID 14774475
tert-butyl N-[(2R)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 54757476
tert-butyl N-[[4-(4-chlorophenyl)phenyl]methyl]carbamate
CID 52904827
tert-butyl N-[(2S)-1-[[(2S)-1-[(4-ethylphenyl)methylamino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 167178809
(2S)-2-[[(2S)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]butanoyl]amino]propanoic acid
CID 22855171
tert-butyl N-[2-[[4-(2-methylpropanoylamino)phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917737
N-[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 18774967
tert-butyl N-[2-[(4-chlorophenyl)methylamino]-2,3-dimethylbutyl]carbamate
CID 107252617
tert-butyl N-[2-[4-[[2-(4-chlorophenyl)acetyl]amino]anilino]-2-oxoethyl]carbamate
CID 108917028
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774
tert-butyl N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 18426232
N-[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 4266807

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamate (CID 5022023) is tert-butyl N-[2-[[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamate is CC(C)C(NC(=O)CNC(=O)OC(C)(C)C)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of tert-butyl N-[2-[[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamate?
The InChIKey is ZOELWKCNBBHPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O4/c1-12(2)16(17(25)21-10-13-6-8-14(20)9-7-13)23-15(24)11-22-18(26)27-19(3,4)5/h6-9,12,16H,10-11H2,1-5H3,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of tert-butyl N-[2-[[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamate has a molecular weight of 397.90 g/mol, XLogP of 2.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 5022023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).