(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide

C29H27N3O2 — CID 2666614

IUPAC(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccncc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H27N3O2/c33-28(31-21-23-16-18-30-19-17-23)26(20-22-10-4-1-5-11-22)32-29(34)27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19,26-27H,20-21H2,(H,31,33)(H,32,34)/t26-/m1/s1
InChIKeyMQMOYCQTMWKGBR-AREMUKBSSA-N
MW449.55 g/mol
LogP4.26
Rot. Bonds9

About (2R)-2-[(2,2-diphenylacetyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide

(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 2666614) has the molecular formula C29H27N3O2 and a molecular weight of 449.55 g/mol. Its IUPAC name is (2R)-2-[(2,2-diphenylacetyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
PubChem CID2666614
Molecular FormulaC29H27N3O2
Molecular Weight449.55 g/mol
Exact Mass449.21
IUPAC Name(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccncc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H27N3O2/c33-28(31-21-23-16-18-30-19-17-23)26(20-22-10-4-1-5-11-22)32-29(34)27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19,26-27H,20-21H2,(H,31,33)(H,32,34)/t26-/m1/s1
InChIKeyMQMOYCQTMWKGBR-AREMUKBSSA-N
XLogP4.26
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
CID 42534610
(2S)-N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide
CID 10949332
(2R)-2-[(2,2-diphenylacetyl)amino]-4-pyridin-4-ylbutanoic acid
CID 70278068
2-[[(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoyl]amino]ethyl-dimethylazanium
CID 2366827
2-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 82130126
(2S)-N-benzyl-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724767
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548
5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide
CID 42654320
methyl (2S)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoate
CID 6992952
2-[4-[[[3-(3-cyanophenyl)-2-[(2,2-diphenylacetyl)amino]propanoyl]amino]methyl]phenyl]acetic acid
CID 67614567
tert-butyl N-[(2S)-1-oxo-3-(4-phenylmethoxyphenyl)-1-(pyridin-4-ylmethylamino)propan-2-yl]carbamate
CID 70068071
N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]benzamide
CID 2972339

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,2-diphenylacetyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of (2R)-2-[(2,2-diphenylacetyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide (CID 2666614) is (2R)-2-[(2,2-diphenylacetyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-[(2,2-diphenylacetyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-[(2,2-diphenylacetyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide is O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccncc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-[(2,2-diphenylacetyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is MQMOYCQTMWKGBR-AREMUKBSSA-N. The full InChI is InChI=1S/C29H27N3O2/c33-28(31-21-23-16-18-30-19-17-23)26(20-22-10-4-1-5-11-22)32-29(34)27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19,26-27H,20-21H2,(H,31,33)(H,32,34)/t26-/m1/s1.
What are the key properties of (2R)-2-[(2,2-diphenylacetyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 449.55 g/mol, XLogP of 4.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,2-diphenylacetyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 2666614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).