N-(3-chloro-4-methylphenyl)-3-[(3-hydroxy-2-methylpropyl)amino]butanamide

C15H23ClN2O2 — CID 110905995

IUPACN-(3-chloro-4-methylphenyl)-3-[(3-hydroxy-2-methylpropyl)amino]butanamide
SMILESCc1ccc(NC(=O)CC(C)NCC(C)CO)cc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-10(9-19)8-17-12(3)6-15(20)18-13-5-4-11(2)14(16)7-13/h4-5,7,10,12,17,19H,6,8-9H2,1-3H3,(H,18,20)
InChIKeySDXAMMKEQAONMY-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.58
Rot. Bonds7

About N-(3-chloro-4-methylphenyl)-3-[(3-hydroxy-2-methylpropyl)amino]butanamide

N-(3-chloro-4-methylphenyl)-3-[(3-hydroxy-2-methylpropyl)amino]butanamide (PubChem CID 110905995) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-[(3-hydroxy-2-methylpropyl)amino]butanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-[(3-hydroxy-2-methylpropyl)amino]butanamide
PubChem CID110905995
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-(3-chloro-4-methylphenyl)-3-[(3-hydroxy-2-methylpropyl)amino]butanamide
SMILESCc1ccc(NC(=O)CC(C)NCC(C)CO)cc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-10(9-19)8-17-12(3)6-15(20)18-13-5-4-11(2)14(16)7-13/h4-5,7,10,12,17,19H,6,8-9H2,1-3H3,(H,18,20)
InChIKeySDXAMMKEQAONMY-UHFFFAOYSA-N
XLogP2.58
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-(ethylamino)butanamide
CID 60663237
(2S)-2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194812
2-[[4-(3-chloro-4-methylanilino)-4-oxobutan-2-yl]amino]pentanoic acid
CID 122039857
N-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 109007872
N-(3-chloro-4-methylphenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112706053
5-amino-N-(3-chloro-4-methylphenyl)-4-methylpentanamide
CID 82683230
(3R)-N-benzyl-N'-(3-chloro-4-methylphenyl)-3-methylpentanediamide
CID 7321085
2-(4-chloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 9098971
N-(3-chloro-4-methylphenyl)-2-(2-hydroxyethylamino)propanamide
CID 82358486
4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride
CID 120558654
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647
5-(3-chloro-4-methylanilino)-5-oxo-3-phenylpentanoic acid
CID 2826171

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-[(3-hydroxy-2-methylpropyl)amino]butanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-[(3-hydroxy-2-methylpropyl)amino]butanamide (CID 110905995) is N-(3-chloro-4-methylphenyl)-3-[(3-hydroxy-2-methylpropyl)amino]butanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-[(3-hydroxy-2-methylpropyl)amino]butanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-[(3-hydroxy-2-methylpropyl)amino]butanamide is Cc1ccc(NC(=O)CC(C)NCC(C)CO)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-[(3-hydroxy-2-methylpropyl)amino]butanamide?
The InChIKey is SDXAMMKEQAONMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-10(9-19)8-17-12(3)6-15(20)18-13-5-4-11(2)14(16)7-13/h4-5,7,10,12,17,19H,6,8-9H2,1-3H3,(H,18,20).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-[(3-hydroxy-2-methylpropyl)amino]butanamide?
N-(3-chloro-4-methylphenyl)-3-[(3-hydroxy-2-methylpropyl)amino]butanamide has a molecular weight of 298.81 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-[(3-hydroxy-2-methylpropyl)amino]butanamide is sourced from PubChem (CID 110905995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).