N-[2-(3-chlorophenyl)propan-2-yl]-2-hydroxy-3-(2-methoxyanilino)butanamide

C20H25ClN2O3 — CID 134349936

IUPACN-[2-(3-chlorophenyl)propan-2-yl]-2-hydroxy-3-(2-methoxyanilino)butanamide
SMILESCOc1ccccc1NC(C)C(O)C(=O)NC(C)(C)c1cccc(Cl)c1
InChIInChI=1S/C20H25ClN2O3/c1-13(22-16-10-5-6-11-17(16)26-4)18(24)19(25)23-20(2,3)14-8-7-9-15(21)12-14/h5-13,18,22,24H,1-4H3,(H,23,25)
InChIKeyCSWGXCKKBFFNMQ-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.56
Rot. Bonds7

About N-[2-(3-chlorophenyl)propan-2-yl]-2-hydroxy-3-(2-methoxyanilino)butanamide

N-[2-(3-chlorophenyl)propan-2-yl]-2-hydroxy-3-(2-methoxyanilino)butanamide (PubChem CID 134349936) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)propan-2-yl]-2-hydroxy-3-(2-methoxyanilino)butanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)propan-2-yl]-2-hydroxy-3-(2-methoxyanilino)butanamide
PubChem CID134349936
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC NameN-[2-(3-chlorophenyl)propan-2-yl]-2-hydroxy-3-(2-methoxyanilino)butanamide
SMILESCOc1ccccc1NC(C)C(O)C(=O)NC(C)(C)c1cccc(Cl)c1
InChIInChI=1S/C20H25ClN2O3/c1-13(22-16-10-5-6-11-17(16)26-4)18(24)19(25)23-20(2,3)14-8-7-9-15(21)12-14/h5-13,18,22,24H,1-4H3,(H,23,25)
InChIKeyCSWGXCKKBFFNMQ-UHFFFAOYSA-N
XLogP3.56
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-(2-methoxyanilino)-N-(2-methoxyphenyl)butanamide
CID 134349346
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyphenyl)urea
CID 90600196
1-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 51168567
2-methyl-N-[(1R)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]propanamide
CID 770145
2,6-dimethoxy-N-(2-phenylpropan-2-yl)benzamide
CID 113091730
N-[2-(3-chlorophenyl)propan-2-yl]-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110446431
2-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide
CID 119330329
(2R)-2-[(3-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
CID 94038324
2-methyl-N-[2-[3-[2-(propan-2-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]propanamide
CID 129087089
(2S)-2-hydroxy-3-methyl-N-(2-phenylpropan-2-yl)butanamide
CID 131853955
(2R)-N-(tert-butylcarbamoyl)-2-(2-methoxyanilino)propanamide
CID 35922476
4-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide
CID 120563069

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)propan-2-yl]-2-hydroxy-3-(2-methoxyanilino)butanamide?
The IUPAC name of N-[2-(3-chlorophenyl)propan-2-yl]-2-hydroxy-3-(2-methoxyanilino)butanamide (CID 134349936) is N-[2-(3-chlorophenyl)propan-2-yl]-2-hydroxy-3-(2-methoxyanilino)butanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)propan-2-yl]-2-hydroxy-3-(2-methoxyanilino)butanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)propan-2-yl]-2-hydroxy-3-(2-methoxyanilino)butanamide is COc1ccccc1NC(C)C(O)C(=O)NC(C)(C)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)propan-2-yl]-2-hydroxy-3-(2-methoxyanilino)butanamide?
The InChIKey is CSWGXCKKBFFNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-13(22-16-10-5-6-11-17(16)26-4)18(24)19(25)23-20(2,3)14-8-7-9-15(21)12-14/h5-13,18,22,24H,1-4H3,(H,23,25).
What are the key properties of N-[2-(3-chlorophenyl)propan-2-yl]-2-hydroxy-3-(2-methoxyanilino)butanamide?
N-[2-(3-chlorophenyl)propan-2-yl]-2-hydroxy-3-(2-methoxyanilino)butanamide has a molecular weight of 376.88 g/mol, XLogP of 3.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)propan-2-yl]-2-hydroxy-3-(2-methoxyanilino)butanamide is sourced from PubChem (CID 134349936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).