(2S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]propanamide

C25H28N2O3 — CID 31564062

IUPAC(2S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)[C@H](C)NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C25H28N2O3/c1-17-12-13-23(30-4)21(14-17)16-27(3)25(29)18(2)26-24(28)15-20-10-7-9-19-8-5-6-11-22(19)20/h5-14,18H,15-16H2,1-4H3,(H,26,28)/t18-/m0/s1
InChIKeyURJJIUZRIVWBDV-SFHVURJKSA-N
MW404.51 g/mol
LogP3.86
Rot. Bonds7

About (2S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]propanamide

(2S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]propanamide (PubChem CID 31564062) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is (2S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
PubChem CID31564062
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name(2S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)[C@H](C)NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C25H28N2O3/c1-17-12-13-23(30-4)21(14-17)16-27(3)25(29)18(2)26-24(28)15-20-10-7-9-19-8-5-6-11-22(19)20/h5-14,18H,15-16H2,1-4H3,(H,26,28)/t18-/m0/s1
InChIKeyURJJIUZRIVWBDV-SFHVURJKSA-N
XLogP3.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]propanamide with MolForge

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Related Compounds

(2R)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 39968005
N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 60666350
2-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpropanamide
CID 107903015
methyl (2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoate
CID 2079406
(2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135881182
(2R)-N-[(2-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 93486431
N-(1-cyclopropylethyl)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 24688294
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
3-amino-4-[(2-methoxy-5-methylphenyl)methyl-methylamino]-4-oxobutanoic acid
CID 64896727
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide
CID 43905077
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-naphthalen-2-yloxyacetamide
CID 9469697

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]propanamide?
The IUPAC name of (2S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]propanamide (CID 31564062) is (2S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]propanamide.
What is the SMILES notation for (2S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]propanamide?
The canonical SMILES for (2S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]propanamide is COc1ccc(C)cc1CN(C)C(=O)[C@H](C)NC(=O)Cc1cccc2ccccc12.
What is the InChIKey of (2S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]propanamide?
The InChIKey is URJJIUZRIVWBDV-SFHVURJKSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-17-12-13-23(30-4)21(14-17)16-27(3)25(29)18(2)26-24(28)15-20-10-7-9-19-8-5-6-11-22(19)20/h5-14,18H,15-16H2,1-4H3,(H,26,28)/t18-/m0/s1.
What are the key properties of (2S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]propanamide?
(2S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]propanamide has a molecular weight of 404.51 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]propanamide is sourced from PubChem (CID 31564062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).