(2R,3S)-N,N-dimethyl-3-(naphthalen-2-ylamino)-2,3-diphenylpropanamide

C27H26N2O — CID 101028938

IUPAC(2R,3S)-N,N-dimethyl-3-(naphthalen-2-ylamino)-2,3-diphenylpropanamide
SMILESCN(C)C(=O)[C@H](c1ccccc1)[C@H](Nc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C27H26N2O/c1-29(2)27(30)25(21-12-5-3-6-13-21)26(22-14-7-4-8-15-22)28-24-18-17-20-11-9-10-16-23(20)19-24/h3-19,25-26,28H,1-2H3/t25-,26-/m1/s1
InChIKeyUHWDZYXDCPMAJY-CLJLJLNGSA-N
MW394.52 g/mol
LogP5.86
Rot. Bonds6

About (2R,3S)-N,N-dimethyl-3-(naphthalen-2-ylamino)-2,3-diphenylpropanamide

(2R,3S)-N,N-dimethyl-3-(naphthalen-2-ylamino)-2,3-diphenylpropanamide (PubChem CID 101028938) has the molecular formula C27H26N2O and a molecular weight of 394.52 g/mol. Its IUPAC name is (2R,3S)-N,N-dimethyl-3-(naphthalen-2-ylamino)-2,3-diphenylpropanamide.

Molecular Properties

Compound Name(2R,3S)-N,N-dimethyl-3-(naphthalen-2-ylamino)-2,3-diphenylpropanamide
PubChem CID101028938
Molecular FormulaC27H26N2O
Molecular Weight394.52 g/mol
Exact Mass394.20
IUPAC Name(2R,3S)-N,N-dimethyl-3-(naphthalen-2-ylamino)-2,3-diphenylpropanamide
SMILESCN(C)C(=O)[C@H](c1ccccc1)[C@H](Nc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C27H26N2O/c1-29(2)27(30)25(21-12-5-3-6-13-21)26(22-14-7-4-8-15-22)28-24-18-17-20-11-9-10-16-23(20)19-24/h3-19,25-26,28H,1-2H3/t25-,26-/m1/s1
InChIKeyUHWDZYXDCPMAJY-CLJLJLNGSA-N
XLogP5.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N,N-dimethyl-3-(naphthalen-2-ylamino)-2,3-diphenylpropanamide?
The IUPAC name of (2R,3S)-N,N-dimethyl-3-(naphthalen-2-ylamino)-2,3-diphenylpropanamide (CID 101028938) is (2R,3S)-N,N-dimethyl-3-(naphthalen-2-ylamino)-2,3-diphenylpropanamide.
What is the SMILES notation for (2R,3S)-N,N-dimethyl-3-(naphthalen-2-ylamino)-2,3-diphenylpropanamide?
The canonical SMILES for (2R,3S)-N,N-dimethyl-3-(naphthalen-2-ylamino)-2,3-diphenylpropanamide is CN(C)C(=O)[C@H](c1ccccc1)[C@H](Nc1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of (2R,3S)-N,N-dimethyl-3-(naphthalen-2-ylamino)-2,3-diphenylpropanamide?
The InChIKey is UHWDZYXDCPMAJY-CLJLJLNGSA-N. The full InChI is InChI=1S/C27H26N2O/c1-29(2)27(30)25(21-12-5-3-6-13-21)26(22-14-7-4-8-15-22)28-24-18-17-20-11-9-10-16-23(20)19-24/h3-19,25-26,28H,1-2H3/t25-,26-/m1/s1.
What are the key properties of (2R,3S)-N,N-dimethyl-3-(naphthalen-2-ylamino)-2,3-diphenylpropanamide?
(2R,3S)-N,N-dimethyl-3-(naphthalen-2-ylamino)-2,3-diphenylpropanamide has a molecular weight of 394.52 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N,N-dimethyl-3-(naphthalen-2-ylamino)-2,3-diphenylpropanamide is sourced from PubChem (CID 101028938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).