N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide

C15H23ClN2O2 — CID 111750320

IUPACN-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)C(C)N(C)CC(C)(C)O
InChIInChI=1S/C15H23ClN2O2/c1-10-6-7-12(16)8-13(10)17-14(19)11(2)18(5)9-15(3,4)20/h6-8,11,20H,9H2,1-5H3,(H,17,19)
InChIKeyPJWLOVLZNMHFEO-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.68
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide

N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide (PubChem CID 111750320) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
PubChem CID111750320
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)C(C)N(C)CC(C)(C)O
InChIInChI=1S/C15H23ClN2O2/c1-10-6-7-12(16)8-13(10)17-14(19)11(2)18(5)9-15(3,4)20/h6-8,11,20H,9H2,1-5H3,(H,17,19)
InChIKeyPJWLOVLZNMHFEO-UHFFFAOYSA-N
XLogP2.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750380
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methylphenyl)propanamide
CID 46561720
N-(5-chloro-2-methylphenyl)-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide
CID 24664454
N-(2-fluorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750362
(2S)-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methylphenyl)propanamide
CID 25490882
(2R)-N-(5-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494910
(2S)-N-(5-chloro-2-methylphenyl)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]propanamide
CID 95349122
(2S)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 26374871
(2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide
CID 94063637
N-(5-chloro-2-methylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195653
N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 42939063
3-(4-chloro-2-methylphenyl)-1-(2-hydroxy-2-methylpropyl)-1-propan-2-ylurea
CID 71846065

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide (CID 111750320) is N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide is Cc1ccc(Cl)cc1NC(=O)C(C)N(C)CC(C)(C)O.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide?
The InChIKey is PJWLOVLZNMHFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-10-6-7-12(16)8-13(10)17-14(19)11(2)18(5)9-15(3,4)20/h6-8,11,20H,9H2,1-5H3,(H,17,19).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide?
N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide has a molecular weight of 298.81 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide is sourced from PubChem (CID 111750320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).