(2S)-N-(3,5-dimethoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide

C23H26N2O3 — CID 40800165

IUPAC(2S)-N-(3,5-dimethoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide
SMILESCOc1cc(NC(=O)[C@H](C)N[C@H](C)c2cccc3ccccc23)cc(OC)c1
InChIInChI=1S/C23H26N2O3/c1-15(21-11-7-9-17-8-5-6-10-22(17)21)24-16(2)23(26)25-18-12-19(27-3)14-20(13-18)28-4/h5-16,24H,1-4H3,(H,25,26)/t15-,16+/m1/s1
InChIKeyCOHVSFXWVGRESB-CVEARBPZSA-N
MW378.47 g/mol
LogP4.53
Rot. Bonds7

About (2S)-N-(3,5-dimethoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide

(2S)-N-(3,5-dimethoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide (PubChem CID 40800165) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is (2S)-N-(3,5-dimethoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(3,5-dimethoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide
PubChem CID40800165
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name(2S)-N-(3,5-dimethoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide
SMILESCOc1cc(NC(=O)[C@H](C)N[C@H](C)c2cccc3ccccc23)cc(OC)c1
InChIInChI=1S/C23H26N2O3/c1-15(21-11-7-9-17-8-5-6-10-22(17)21)24-16(2)23(26)25-18-12-19(27-3)14-20(13-18)28-4/h5-16,24H,1-4H3,(H,25,26)/t15-,16+/m1/s1
InChIKeyCOHVSFXWVGRESB-CVEARBPZSA-N
XLogP4.53
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(1-naphthalen-1-ylethylamino)propanoylamino]benzamide
CID 86976453
methyl N-[(2S)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]propanoyl]carbamate
CID 8695474
2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-phenylpropanamide
CID 51226942
N-(3-methoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396909
(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 101003205
(2S)-N-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 9248611
(2R)-2-(3,5-dimethoxyanilino)-N-phenylpropanamide
CID 40938038
(2R)-N-(3,5-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]propanamide
CID 8001713
N-[(2-methylphenyl)methyl]-2-(1-naphthalen-1-ylethylamino)propanamide
CID 112811629
2-[1-(2-fluorophenyl)ethylamino]-N-naphthalen-2-ylpropanamide
CID 18289661
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide
CID 40710619
1-(4-methoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657834

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,5-dimethoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide?
The IUPAC name of (2S)-N-(3,5-dimethoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide (CID 40800165) is (2S)-N-(3,5-dimethoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(3,5-dimethoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide?
The canonical SMILES for (2S)-N-(3,5-dimethoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide is COc1cc(NC(=O)[C@H](C)N[C@H](C)c2cccc3ccccc23)cc(OC)c1.
What is the InChIKey of (2S)-N-(3,5-dimethoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide?
The InChIKey is COHVSFXWVGRESB-CVEARBPZSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-15(21-11-7-9-17-8-5-6-10-22(17)21)24-16(2)23(26)25-18-12-19(27-3)14-20(13-18)28-4/h5-16,24H,1-4H3,(H,25,26)/t15-,16+/m1/s1.
What are the key properties of (2S)-N-(3,5-dimethoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide?
(2S)-N-(3,5-dimethoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide has a molecular weight of 378.47 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,5-dimethoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide is sourced from PubChem (CID 40800165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).