N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methyl-N-[(4-methylphenyl)methyl]butanamide

C29H34N2O2 — CID 46056985

IUPACN-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methyl-N-[(4-methylphenyl)methyl]butanamide
SMILESCc1ccc(CN(C(=O)CC(C)C)c2cccc(CC(=O)N(C)Cc3ccccc3)c2)cc1
InChIInChI=1S/C29H34N2O2/c1-22(2)17-29(33)31(21-25-15-13-23(3)14-16-25)27-12-8-11-26(18-27)19-28(32)30(4)20-24-9-6-5-7-10-24/h5-16,18,22H,17,19-21H2,1-4H3
InChIKeyRWYUCLAJCRJYIG-UHFFFAOYSA-N
MW442.60 g/mol
LogP5.78
Rot. Bonds9

About N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methyl-N-[(4-methylphenyl)methyl]butanamide

N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methyl-N-[(4-methylphenyl)methyl]butanamide (PubChem CID 46056985) has the molecular formula C29H34N2O2 and a molecular weight of 442.60 g/mol. Its IUPAC name is N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methyl-N-[(4-methylphenyl)methyl]butanamide.

Molecular Properties

Compound NameN-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methyl-N-[(4-methylphenyl)methyl]butanamide
PubChem CID46056985
Molecular FormulaC29H34N2O2
Molecular Weight442.60 g/mol
Exact Mass442.26
IUPAC NameN-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methyl-N-[(4-methylphenyl)methyl]butanamide
SMILESCc1ccc(CN(C(=O)CC(C)C)c2cccc(CC(=O)N(C)Cc3ccccc3)c2)cc1
InChIInChI=1S/C29H34N2O2/c1-22(2)17-29(33)31(21-25-15-13-23(3)14-16-25)27-12-8-11-26(18-27)19-28(32)30(4)20-24-9-6-5-7-10-24/h5-16,18,22H,17,19-21H2,1-4H3
InChIKeyRWYUCLAJCRJYIG-UHFFFAOYSA-N
XLogP5.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.60
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]-3-methylbutanamide
CID 46052576
N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide
CID 46057032
N-benzyl-3-methyl-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]butanamide
CID 42859236
2-(3-hydroxyphenyl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 61399859
N-benzyl-N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 46056563
N-benzyl-3-methyl-N-[3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]phenyl]butanamide
CID 46056449
N-methyl-2-phenyl-N-[(4-phenylphenyl)methyl]acetamide
CID 55580695
N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide
CID 42859274
N-benzyl-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107020688
N-[2-(dimethylamino)ethyl]-2-[3-[(4-methylphenyl)methyl-(2-phenoxyacetyl)amino]phenyl]acetamide
CID 46057198
N-benzyl-4-methyl-N-[3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 93333842
3-amino-N-benzyl-N-phenylbutanamide
CID 61260730

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methyl-N-[(4-methylphenyl)methyl]butanamide?
The IUPAC name of N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methyl-N-[(4-methylphenyl)methyl]butanamide (CID 46056985) is N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methyl-N-[(4-methylphenyl)methyl]butanamide.
What is the SMILES notation for N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methyl-N-[(4-methylphenyl)methyl]butanamide?
The canonical SMILES for N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methyl-N-[(4-methylphenyl)methyl]butanamide is Cc1ccc(CN(C(=O)CC(C)C)c2cccc(CC(=O)N(C)Cc3ccccc3)c2)cc1.
What is the InChIKey of N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methyl-N-[(4-methylphenyl)methyl]butanamide?
The InChIKey is RWYUCLAJCRJYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O2/c1-22(2)17-29(33)31(21-25-15-13-23(3)14-16-25)27-12-8-11-26(18-27)19-28(32)30(4)20-24-9-6-5-7-10-24/h5-16,18,22H,17,19-21H2,1-4H3.
What are the key properties of N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methyl-N-[(4-methylphenyl)methyl]butanamide?
N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methyl-N-[(4-methylphenyl)methyl]butanamide has a molecular weight of 442.60 g/mol, XLogP of 5.78, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methyl-N-[(4-methylphenyl)methyl]butanamide is sourced from PubChem (CID 46056985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).