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

C19H28N2O3 — CID 110014606

IUPACN-[3-hydroxy-1-[methyl-(2-methyl-1-phenylpropyl)amino]-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCC(C)C(c1ccccc1)N(C)C(=O)C(NC(=O)C1CC1)C(C)O
InChIInChI=1S/C19H28N2O3/c1-12(2)17(14-8-6-5-7-9-14)21(4)19(24)16(13(3)22)20-18(23)15-10-11-15/h5-9,12-13,15-17,22H,10-11H2,1-4H3,(H,20,23)
InChIKeyWKLSSJRWJRYLSM-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.12
Rot. Bonds7

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

N-[3-hydroxy-1-[methyl-(2-methyl-1-phenylpropyl)amino]-1-oxobutan-2-yl]cyclopropanecarboxamide (PubChem CID 110014606) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[3-hydroxy-1-[methyl-(2-methyl-1-phenylpropyl)amino]-1-oxobutan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-[methyl-(2-methyl-1-phenylpropyl)amino]-1-oxobutan-2-yl]cyclopropanecarboxamide
PubChem CID110014606
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[3-hydroxy-1-[methyl-(2-methyl-1-phenylpropyl)amino]-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCC(C)C(c1ccccc1)N(C)C(=O)C(NC(=O)C1CC1)C(C)O
InChIInChI=1S/C19H28N2O3/c1-12(2)17(14-8-6-5-7-9-14)21(4)19(24)16(13(3)22)20-18(23)15-10-11-15/h5-9,12-13,15-17,22H,10-11H2,1-4H3,(H,20,23)
InChIKeyWKLSSJRWJRYLSM-UHFFFAOYSA-N
XLogP2.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-(2-fluorophenyl)ethyl-methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110013976
N-[1-[dicyclopropylmethyl(methyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014380
N-[3-hydroxy-1-[methyl-[(2-methylphenyl)methyl]amino]-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110015083
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
3-amino-N-methyl-N-(2-methyl-1-phenylpropyl)cyclopentane-1-carboxamide
CID 119783511
N-[3-hydroxy-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 86785000
N-(2-oxo-1-phenylpropyl)cyclopropanecarboxamide
CID 134269746
N-[1-[(1-cyclopropyl-2-phenylethyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014691
benzyl 4-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 146344524
4-amino-N-methyl-N-(2-methyl-1-phenylpropyl)pentanamide;hydrochloride
CID 120562633
N-[1-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014294
N-(2-bromo-1-phenylethyl)cyclopropanecarboxamide
CID 114311037

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-[methyl-(2-methyl-1-phenylpropyl)amino]-1-oxobutan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-hydroxy-1-[methyl-(2-methyl-1-phenylpropyl)amino]-1-oxobutan-2-yl]cyclopropanecarboxamide (CID 110014606) is N-[3-hydroxy-1-[methyl-(2-methyl-1-phenylpropyl)amino]-1-oxobutan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-hydroxy-1-[methyl-(2-methyl-1-phenylpropyl)amino]-1-oxobutan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-hydroxy-1-[methyl-(2-methyl-1-phenylpropyl)amino]-1-oxobutan-2-yl]cyclopropanecarboxamide is CC(C)C(c1ccccc1)N(C)C(=O)C(NC(=O)C1CC1)C(C)O.
What is the InChIKey of N-[3-hydroxy-1-[methyl-(2-methyl-1-phenylpropyl)amino]-1-oxobutan-2-yl]cyclopropanecarboxamide?
The InChIKey is WKLSSJRWJRYLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-12(2)17(14-8-6-5-7-9-14)21(4)19(24)16(13(3)22)20-18(23)15-10-11-15/h5-9,12-13,15-17,22H,10-11H2,1-4H3,(H,20,23).
What are the key properties of N-[3-hydroxy-1-[methyl-(2-methyl-1-phenylpropyl)amino]-1-oxobutan-2-yl]cyclopropanecarboxamide?
N-[3-hydroxy-1-[methyl-(2-methyl-1-phenylpropyl)amino]-1-oxobutan-2-yl]cyclopropanecarboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.12, 7 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-methyl-1-phenylpropyl)amino]-1-oxobutan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 110014606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).