2-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide

C29H35N3O3 — CID 22327096

IUPAC2-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide
SMILESCNC(Cc1ccc2ccccc2c1)C(=O)N(C)C(Cc1ccccc1)C(=O)NCC1CCCO1
InChIInChI=1S/C29H35N3O3/c1-30-26(18-22-14-15-23-11-6-7-12-24(23)17-22)29(34)32(2)27(19-21-9-4-3-5-10-21)28(33)31-20-25-13-8-16-35-25/h3-7,9-12,14-15,17,25-27,30H,8,13,16,18-20H2,1-2H3,(H,31,33)
InChIKeyVRSYPXFSQSSDTP-UHFFFAOYSA-N
MW473.62 g/mol
LogP3.34
Rot. Bonds10

About 2-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide

2-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide (PubChem CID 22327096) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is 2-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide
PubChem CID22327096
Molecular FormulaC29H35N3O3
Molecular Weight473.62 g/mol
Exact Mass473.27
IUPAC Name2-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide
SMILESCNC(Cc1ccc2ccccc2c1)C(=O)N(C)C(Cc1ccccc1)C(=O)NCC1CCCO1
InChIInChI=1S/C29H35N3O3/c1-30-26(18-22-14-15-23-11-6-7-12-24(23)17-22)29(34)32(2)27(19-21-9-4-3-5-10-21)28(33)31-20-25-13-8-16-35-25/h3-7,9-12,14-15,17,25-27,30H,8,13,16,18-20H2,1-2H3,(H,31,33)
InChIKeyVRSYPXFSQSSDTP-UHFFFAOYSA-N
XLogP3.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanamide
CID 22326951
(2R)-2-[methyl-[(2R)-2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 54363069
N-[(4-fluorophenyl)methyl]-2-methyl-N-[1-oxo-1-(oxolan-2-ylmethylamino)-3-phenylpropan-2-yl]propanamide
CID 133215130
(2S)-6-acetamido-N,N-dimethyl-2-[[2-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoyl]amino]hexanamide
CID 70292290
2-[benzyl-(2-phenoxyacetyl)amino]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide
CID 133214204
(2R)-N-methyl-2-[methyl-[(2R)-2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
CID 20587656
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide
CID 133236378
[1-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-2-phenylethyl] N-methylcarbamate
CID 174391365
(2S)-2-[benzyl-[2-[benzyl(methylsulfonyl)amino]acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylpropanamide
CID 125046408
tert-butyl N-[(2R)-1-[methyl-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate
CID 70068091
[1-[[1-(2-acetylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-methylcarbamic acid
CID 18704630
(2S)-2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 93487213

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide?
The IUPAC name of 2-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide (CID 22327096) is 2-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide.
What is the SMILES notation for 2-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide?
The canonical SMILES for 2-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide is CNC(Cc1ccc2ccccc2c1)C(=O)N(C)C(Cc1ccccc1)C(=O)NCC1CCCO1.
What is the InChIKey of 2-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide?
The InChIKey is VRSYPXFSQSSDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O3/c1-30-26(18-22-14-15-23-11-6-7-12-24(23)17-22)29(34)32(2)27(19-21-9-4-3-5-10-21)28(33)31-20-25-13-8-16-35-25/h3-7,9-12,14-15,17,25-27,30H,8,13,16,18-20H2,1-2H3,(H,31,33).
What are the key properties of 2-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide?
2-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide has a molecular weight of 473.62 g/mol, XLogP of 3.34, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide is sourced from PubChem (CID 22327096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).