N-[3-hydroxy-1-[methyl-[(2-methylphenyl)methyl]amino]-1-oxobutan-2-yl]cyclopropanecarboxamide

C17H24N2O3 — CID 110015083

IUPACN-[3-hydroxy-1-[methyl-[(2-methylphenyl)methyl]amino]-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCc1ccccc1CN(C)C(=O)C(NC(=O)C1CC1)C(C)O
InChIInChI=1S/C17H24N2O3/c1-11-6-4-5-7-14(11)10-19(3)17(22)15(12(2)20)18-16(21)13-8-9-13/h4-7,12-13,15,20H,8-10H2,1-3H3,(H,18,21)
InChIKeyUMTWKEBGBRVVJJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.23
Rot. Bonds6

About N-[3-hydroxy-1-[methyl-[(2-methylphenyl)methyl]amino]-1-oxobutan-2-yl]cyclopropanecarboxamide

N-[3-hydroxy-1-[methyl-[(2-methylphenyl)methyl]amino]-1-oxobutan-2-yl]cyclopropanecarboxamide (PubChem CID 110015083) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[3-hydroxy-1-[methyl-[(2-methylphenyl)methyl]amino]-1-oxobutan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-[methyl-[(2-methylphenyl)methyl]amino]-1-oxobutan-2-yl]cyclopropanecarboxamide
PubChem CID110015083
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[3-hydroxy-1-[methyl-[(2-methylphenyl)methyl]amino]-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCc1ccccc1CN(C)C(=O)C(NC(=O)C1CC1)C(C)O
InChIInChI=1S/C17H24N2O3/c1-11-6-4-5-7-14(11)10-19(3)17(22)15(12(2)20)18-16(21)13-8-9-13/h4-7,12-13,15,20H,8-10H2,1-3H3,(H,18,21)
InChIKeyUMTWKEBGBRVVJJ-UHFFFAOYSA-N
XLogP1.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-hydroxy-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 86785000
N-[3-hydroxy-1-[methyl-(2-methyl-1-phenylpropyl)amino]-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014606
(2R)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 79011463
N-[(2R)-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 30171573
N-[1-[dicyclopropylmethyl(methyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014380
N-cyclopropyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 71944218
(2S,3S)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]pentanamide
CID 61154727
N-methyl-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide
CID 134028542
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 111543826
N-[1-[(1-cyclopropyl-2-phenylethyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014691
N,4-dimethyl-N-[(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 116654477
1,3-dimethyl-1-[(2-methylphenyl)methyl]urea
CID 23563161

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-[methyl-[(2-methylphenyl)methyl]amino]-1-oxobutan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-hydroxy-1-[methyl-[(2-methylphenyl)methyl]amino]-1-oxobutan-2-yl]cyclopropanecarboxamide (CID 110015083) is N-[3-hydroxy-1-[methyl-[(2-methylphenyl)methyl]amino]-1-oxobutan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-hydroxy-1-[methyl-[(2-methylphenyl)methyl]amino]-1-oxobutan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-hydroxy-1-[methyl-[(2-methylphenyl)methyl]amino]-1-oxobutan-2-yl]cyclopropanecarboxamide is Cc1ccccc1CN(C)C(=O)C(NC(=O)C1CC1)C(C)O.
What is the InChIKey of N-[3-hydroxy-1-[methyl-[(2-methylphenyl)methyl]amino]-1-oxobutan-2-yl]cyclopropanecarboxamide?
The InChIKey is UMTWKEBGBRVVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11-6-4-5-7-14(11)10-19(3)17(22)15(12(2)20)18-16(21)13-8-9-13/h4-7,12-13,15,20H,8-10H2,1-3H3,(H,18,21).
What are the key properties of N-[3-hydroxy-1-[methyl-[(2-methylphenyl)methyl]amino]-1-oxobutan-2-yl]cyclopropanecarboxamide?
N-[3-hydroxy-1-[methyl-[(2-methylphenyl)methyl]amino]-1-oxobutan-2-yl]cyclopropanecarboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-[methyl-[(2-methylphenyl)methyl]amino]-1-oxobutan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 110015083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).