N-benzyl-3-methyl-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]butanamide

C23H30N2O2 — CID 42859236

IUPACN-benzyl-3-methyl-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]butanamide
SMILESCCCNC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)CC(C)C)c1
InChIInChI=1S/C23H30N2O2/c1-4-13-24-22(26)16-20-11-8-12-21(15-20)25(23(27)14-18(2)3)17-19-9-6-5-7-10-19/h5-12,15,18H,4,13-14,16-17H2,1-3H3,(H,24,26)
InChIKeyMSUPISSZKBVJBA-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.33
Rot. Bonds9

About N-benzyl-3-methyl-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]butanamide

N-benzyl-3-methyl-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]butanamide (PubChem CID 42859236) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-benzyl-3-methyl-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]butanamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]butanamide
PubChem CID42859236
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-benzyl-3-methyl-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]butanamide
SMILESCCCNC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)CC(C)C)c1
InChIInChI=1S/C23H30N2O2/c1-4-13-24-22(26)16-20-11-8-12-21(15-20)25(23(27)14-18(2)3)17-19-9-6-5-7-10-19/h5-12,15,18H,4,13-14,16-17H2,1-3H3,(H,24,26)
InChIKeyMSUPISSZKBVJBA-UHFFFAOYSA-N
XLogP4.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-methyl-N-[3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]phenyl]butanamide
CID 46056449
N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methyl-N-[(4-methylphenyl)methyl]butanamide
CID 46056985
2-[3-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)acetamide
CID 46056595
N-benzyl-N-[3-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]propanamide
CID 42859248
N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46056998
N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46057025
N'-benzyl-N-pentyl-N'-phenylpropanediamide
CID 108951958
N-[(4-methylphenyl)methyl]-4-nitro-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]benzamide
CID 46057145
N-benzyl-N-[3-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]thiophene-2-carboxamide
CID 46056426
N-[2-(dimethylamino)ethyl]-2-[3-[(4-methylphenyl)methyl-(2-phenoxyacetyl)amino]phenyl]acetamide
CID 46057198
benzene;molecular hydrogen;2-phenyl-N-propylacetamide
CID 144955399
2-[3-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(1-phenylethyl)acetamide
CID 46056741

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]butanamide?
The IUPAC name of N-benzyl-3-methyl-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]butanamide (CID 42859236) is N-benzyl-3-methyl-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]butanamide.
What is the SMILES notation for N-benzyl-3-methyl-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]butanamide?
The canonical SMILES for N-benzyl-3-methyl-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]butanamide is CCCNC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)CC(C)C)c1.
What is the InChIKey of N-benzyl-3-methyl-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]butanamide?
The InChIKey is MSUPISSZKBVJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-4-13-24-22(26)16-20-11-8-12-21(15-20)25(23(27)14-18(2)3)17-19-9-6-5-7-10-19/h5-12,15,18H,4,13-14,16-17H2,1-3H3,(H,24,26).
What are the key properties of N-benzyl-3-methyl-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]butanamide?
N-benzyl-3-methyl-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]butanamide has a molecular weight of 366.51 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]butanamide is sourced from PubChem (CID 42859236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).