N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide

C29H28N2O2 — CID 162471130

IUPACN-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide
SMILESCc1ccc(N(C)C(=O)C(Cc2ccccc2)NC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C29H28N2O2/c1-21-15-17-25(18-16-21)31(2)29(33)27(19-22-9-4-3-5-10-22)30-28(32)20-24-13-8-12-23-11-6-7-14-26(23)24/h3-18,27H,19-20H2,1-2H3,(H,30,32)
InChIKeyRJOYRQSRDOUSKZ-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.08
Rot. Bonds7

About N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide

N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide (PubChem CID 162471130) has the molecular formula C29H28N2O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide
PubChem CID162471130
Molecular FormulaC29H28N2O2
Molecular Weight436.56 g/mol
Exact Mass436.22
IUPAC NameN-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide
SMILESCc1ccc(N(C)C(=O)C(Cc2ccccc2)NC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C29H28N2O2/c1-21-15-17-25(18-16-21)31(2)29(33)27(19-22-9-4-3-5-10-22)30-28(32)20-24-13-8-12-23-11-6-7-14-26(23)24/h3-18,27H,19-20H2,1-2H3,(H,30,32)
InChIKeyRJOYRQSRDOUSKZ-UHFFFAOYSA-N
XLogP5.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(4-chlorophenyl)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N,3-diphenylpropanamide
CID 159703025
N'-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]propanediamide
CID 134344773
(2S)-N-methyl-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-(4-methylphenyl)-3-phenylpropanamide
CID 161490663
N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-2-naphthalen-1-ylacetamide
CID 97195739
(2S)-N-methyl-N,3-diphenyl-2-[[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]amino]propanamide
CID 71596203
(2S)-2-acetamido-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide;1-tert-butyl-4-methylbenzene;molecular hydrogen
CID 145175380
1-N,4-N-bis[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzene-1,4-dicarboxamide
CID 122647174
(2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-N-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 162668810
(E)-N,N'-bis[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-3-methylpent-2-enediamide
CID 122647392
(2S)-2-[3-[4-[3-[[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]piperazin-1-yl]propanoylamino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
CID 122647587
4-(methylamino)-N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 119805944
(2S)-2-[[2-(1-ethyl-2,4,7-trimethylindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide
CID 71594954

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide?
The IUPAC name of N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide (CID 162471130) is N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide?
The canonical SMILES for N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide is Cc1ccc(N(C)C(=O)C(Cc2ccccc2)NC(=O)Cc2cccc3ccccc23)cc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide?
The InChIKey is RJOYRQSRDOUSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O2/c1-21-15-17-25(18-16-21)31(2)29(33)27(19-22-9-4-3-5-10-22)30-28(32)20-24-13-8-12-23-11-6-7-14-26(23)24/h3-18,27H,19-20H2,1-2H3,(H,30,32).
What are the key properties of N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide?
N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide has a molecular weight of 436.56 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide is sourced from PubChem (CID 162471130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).