N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide

C16H22N2O3 — CID 110026477

IUPACN-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
SMILESCC(O)(CC(=O)NCC(=O)NCC1CC1)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-16(21,13-5-3-2-4-6-13)9-14(19)18-11-15(20)17-10-12-7-8-12/h2-6,12,21H,7-11H2,1H3,(H,17,20)(H,18,19)
InChIKeyLPFYQERFPADGCU-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.93
Rot. Bonds7

About N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide

N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide (PubChem CID 110026477) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
PubChem CID110026477
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
SMILESCC(O)(CC(=O)NCC(=O)NCC1CC1)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-16(21,13-5-3-2-4-6-13)9-14(19)18-11-15(20)17-10-12-7-8-12/h2-6,12,21H,7-11H2,1H3,(H,17,20)(H,18,19)
InChIKeyLPFYQERFPADGCU-UHFFFAOYSA-N
XLogP0.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-3-phenyl-N-[(1-propylpiperidin-4-yl)methyl]butanamide
CID 110025148
3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide
CID 110025506
N-[2-(cyclohexylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
CID 110025114
N-(cyclopentylmethyl)-3-methyl-3-phenylbutanamide
CID 110307449
N-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-3-phenylbutanamide
CID 110026341
3-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]-3-phenylbutanamide
CID 110025113
4-(cyclopentylmethylamino)-2-methyl-4-oxo-2-phenylbutanoic acid
CID 43529089
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
N-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide
CID 25469630
3-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-phenylbutanamide
CID 110024517
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
CID 110024390
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-hydroxy-3-phenylbutanamide
CID 110025154

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide?
The IUPAC name of N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide (CID 110026477) is N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide is CC(O)(CC(=O)NCC(=O)NCC1CC1)c1ccccc1.
What is the InChIKey of N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide?
The InChIKey is LPFYQERFPADGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(21,13-5-3-2-4-6-13)9-14(19)18-11-15(20)17-10-12-7-8-12/h2-6,12,21H,7-11H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide?
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide has a molecular weight of 290.36 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 110026477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).