(2R)-N-(3,5-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]propanamide

C25H28N2O3 — CID 8001713

IUPAC(2R)-N-(3,5-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]propanamide
SMILESCOc1cc(NC(=O)[C@@H](C)N[C@H](c2ccccc2)c2ccc(C)cc2)cc(OC)c1
InChIInChI=1S/C25H28N2O3/c1-17-10-12-20(13-11-17)24(19-8-6-5-7-9-19)26-18(2)25(28)27-21-14-22(29-3)16-23(15-21)30-4/h5-16,18,24,26H,1-4H3,(H,27,28)/t18-,24-/m1/s1
InChIKeySWSJDFCVXLWKEM-HOYKHHGWSA-N
MW404.51 g/mol
LogP4.72
Rot. Bonds8

About (2R)-N-(3,5-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]propanamide

(2R)-N-(3,5-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]propanamide (PubChem CID 8001713) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is (2R)-N-(3,5-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(3,5-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]propanamide
PubChem CID8001713
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name(2R)-N-(3,5-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]propanamide
SMILESCOc1cc(NC(=O)[C@@H](C)N[C@H](c2ccccc2)c2ccc(C)cc2)cc(OC)c1
InChIInChI=1S/C25H28N2O3/c1-17-10-12-20(13-11-17)24(19-8-6-5-7-9-19)26-18(2)25(28)27-21-14-22(29-3)16-23(15-21)30-4/h5-16,18,24,26H,1-4H3,(H,27,28)/t18-,24-/m1/s1
InChIKeySWSJDFCVXLWKEM-HOYKHHGWSA-N
XLogP4.72
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(benzhydrylamino)-N-(3-methoxyphenyl)propanamide
CID 8545508
N-(2-methoxyphenyl)-2-[[(4-methoxyphenyl)-phenylmethyl]amino]propanamide
CID 42918152
(2S)-N-(2-methoxyphenyl)-2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]propanamide
CID 39948957
(2S)-2-(benzhydrylamino)-N-(3,4-dimethoxyphenyl)propanamide
CID 9445871
3-amino-N-(3,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide
CID 119673892
(2R)-2-(3,5-dimethoxyanilino)-N-phenylpropanamide
CID 40938038
(2R)-2-(3-methoxyphenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28569116
N-(3,5-dimethoxyphenyl)-2-phenylbutanamide
CID 2924276
(2S)-N-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 9248611
(3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide
CID 8005275
(2S)-2-(benzhydrylamino)-N-(3-fluorophenyl)propanamide
CID 9445795
(2S)-N-(3,5-dimethoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide
CID 40800165

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,5-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]propanamide?
The IUPAC name of (2R)-N-(3,5-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]propanamide (CID 8001713) is (2R)-N-(3,5-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-(3,5-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]propanamide?
The canonical SMILES for (2R)-N-(3,5-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]propanamide is COc1cc(NC(=O)[C@@H](C)N[C@H](c2ccccc2)c2ccc(C)cc2)cc(OC)c1.
What is the InChIKey of (2R)-N-(3,5-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]propanamide?
The InChIKey is SWSJDFCVXLWKEM-HOYKHHGWSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-17-10-12-20(13-11-17)24(19-8-6-5-7-9-19)26-18(2)25(28)27-21-14-22(29-3)16-23(15-21)30-4/h5-16,18,24,26H,1-4H3,(H,27,28)/t18-,24-/m1/s1.
What are the key properties of (2R)-N-(3,5-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]propanamide?
(2R)-N-(3,5-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]propanamide has a molecular weight of 404.51 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,5-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]propanamide is sourced from PubChem (CID 8001713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).