N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide

C29H36N2O2 — CID 155920141

IUPACN-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide
SMILESCC(C)(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H36N2O2/c1-29(2,3)21-30-20-26(32)25(19-22-13-7-4-8-14-22)31-28(33)27(23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25-27,30,32H,19-21H2,1-3H3,(H,31,33)/t25-,26+/m0/s1
InChIKeySGKQSSMGZUXLMP-IZZNHLLZSA-N
MW444.62 g/mol
LogP4.54
Rot. Bonds10

About N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide

N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide (PubChem CID 155920141) has the molecular formula C29H36N2O2 and a molecular weight of 444.62 g/mol. Its IUPAC name is N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide
PubChem CID155920141
Molecular FormulaC29H36N2O2
Molecular Weight444.62 g/mol
Exact Mass444.28
IUPAC NameN-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide
SMILESCC(C)(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H36N2O2/c1-29(2,3)21-30-20-26(32)25(19-22-13-7-4-8-14-22)31-28(33)27(23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25-27,30,32H,19-21H2,1-3H3,(H,31,33)/t25-,26+/m0/s1
InChIKeySGKQSSMGZUXLMP-IZZNHLLZSA-N
XLogP4.54
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide (CID 155920141) is N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide is CC(C)(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide?
The InChIKey is SGKQSSMGZUXLMP-IZZNHLLZSA-N. The full InChI is InChI=1S/C29H36N2O2/c1-29(2,3)21-30-20-26(32)25(19-22-13-7-4-8-14-22)31-28(33)27(23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25-27,30,32H,19-21H2,1-3H3,(H,31,33)/t25-,26+/m0/s1.
What are the key properties of N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide?
N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide has a molecular weight of 444.62 g/mol, XLogP of 4.54, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 155920141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).