(2R)-N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-2-[3-(4-chlorophenyl)propyl]-N-hydroxybutanediamide

C19H28ClN3O4 — CID 57195500

IUPAC(2R)-N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-2-[3-(4-chlorophenyl)propyl]-N-hydroxybutanediamide
SMILESCC(C)(C)[C@@H](C(N)=O)N(O)C(=O)[C@H](CCCc1ccc(Cl)cc1)CC(N)=O
InChIInChI=1S/C19H28ClN3O4/c1-19(2,3)16(17(22)25)23(27)18(26)13(11-15(21)24)6-4-5-12-7-9-14(20)10-8-12/h7-10,13,16,27H,4-6,11H2,1-3H3,(H2,21,24)(H2,22,25)/t13-,16-/m1/s1
InChIKeyDGGQULSJKSQYAA-CZUORRHYSA-N
MW397.90 g/mol
LogP2.27
Rot. Bonds9

About (2R)-N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-2-[3-(4-chlorophenyl)propyl]-N-hydroxybutanediamide

(2R)-N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-2-[3-(4-chlorophenyl)propyl]-N-hydroxybutanediamide (PubChem CID 57195500) has the molecular formula C19H28ClN3O4 and a molecular weight of 397.90 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-2-[3-(4-chlorophenyl)propyl]-N-hydroxybutanediamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-2-[3-(4-chlorophenyl)propyl]-N-hydroxybutanediamide
PubChem CID57195500
Molecular FormulaC19H28ClN3O4
Molecular Weight397.90 g/mol
Exact Mass397.18
IUPAC Name(2R)-N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-2-[3-(4-chlorophenyl)propyl]-N-hydroxybutanediamide
SMILESCC(C)(C)[C@@H](C(N)=O)N(O)C(=O)[C@H](CCCc1ccc(Cl)cc1)CC(N)=O
InChIInChI=1S/C19H28ClN3O4/c1-19(2,3)16(17(22)25)23(27)18(26)13(11-15(21)24)6-4-5-12-7-9-14(20)10-8-12/h7-10,13,16,27H,4-6,11H2,1-3H3,(H2,21,24)(H2,22,25)/t13-,16-/m1/s1
InChIKeyDGGQULSJKSQYAA-CZUORRHYSA-N
XLogP2.27
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.90
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-2-[3-(4-chlorophenyl)propyl]-N-hydroxybutanediamide 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

(3S)-3-amino-6-(4-chlorophenyl)hexanoic acid
CID 58633540
diethyl 2-[3-(4-chlorophenyl)propyl]propanedioate
CID 54537439
ethyl 2-carbamoyl-7-(4-chlorophenyl)heptanoate
CID 23047741
2-chloro-4-(4-chlorophenyl)-2-methylbutanamide
CID 67225206
4-(4-chlorophenyl)-3-hydroxybutanamide
CID 70557750
(3R)-6-(4-chlorophenyl)-3-(1,3-diacetyloxypropan-2-ylcarbamoyl)hexanoic acid
CID 139749807
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]butanediamide
CID 83340796
2-(aminomethyl)-7-(4-chlorophenyl)-4-ethylheptanoic acid
CID 69268919
2-[4-(4-chlorophenyl)butyl]propanedioic acid
CID 135387064
2-chloro-4-(4-chlorophenyl)-3,3-dimethylbutanamide
CID 140676450
7-(4-chlorophenyl)-2-hydroxy-2-methylheptanoic acid
CID 150559838
(2R)-N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-2-[3-[4-(chloromethyl)phenyl]propyl]-N'-hydroxybutanediamide
CID 54075386

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-2-[3-(4-chlorophenyl)propyl]-N-hydroxybutanediamide?
The IUPAC name of (2R)-N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-2-[3-(4-chlorophenyl)propyl]-N-hydroxybutanediamide (CID 57195500) is (2R)-N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-2-[3-(4-chlorophenyl)propyl]-N-hydroxybutanediamide.
What is the SMILES notation for (2R)-N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-2-[3-(4-chlorophenyl)propyl]-N-hydroxybutanediamide?
The canonical SMILES for (2R)-N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-2-[3-(4-chlorophenyl)propyl]-N-hydroxybutanediamide is CC(C)(C)[C@@H](C(N)=O)N(O)C(=O)[C@H](CCCc1ccc(Cl)cc1)CC(N)=O.
What is the InChIKey of (2R)-N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-2-[3-(4-chlorophenyl)propyl]-N-hydroxybutanediamide?
The InChIKey is DGGQULSJKSQYAA-CZUORRHYSA-N. The full InChI is InChI=1S/C19H28ClN3O4/c1-19(2,3)16(17(22)25)23(27)18(26)13(11-15(21)24)6-4-5-12-7-9-14(20)10-8-12/h7-10,13,16,27H,4-6,11H2,1-3H3,(H2,21,24)(H2,22,25)/t13-,16-/m1/s1.
What are the key properties of (2R)-N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-2-[3-(4-chlorophenyl)propyl]-N-hydroxybutanediamide?
(2R)-N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-2-[3-(4-chlorophenyl)propyl]-N-hydroxybutanediamide has a molecular weight of 397.90 g/mol, XLogP of 2.27, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-2-[3-(4-chlorophenyl)propyl]-N-hydroxybutanediamide is sourced from PubChem (CID 57195500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).