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

C30H38N2O2 — CID 164614314

IUPACN-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide
SMILESCC(C)(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H38N2O2/c1-30(2,3)22-31-21-28(33)27(19-23-13-7-4-8-14-23)32-29(34)20-26(24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,26-28,31,33H,19-22H2,1-3H3,(H,32,34)/t27-,28+/m0/s1
InChIKeyANNGDRKIZUKLFR-WUFINQPMSA-N
MW458.65 g/mol
LogP4.93
Rot. Bonds11

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

N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide (PubChem CID 164614314) has the molecular formula C30H38N2O2 and a molecular weight of 458.65 g/mol. Its IUPAC name is N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide
PubChem CID164614314
Molecular FormulaC30H38N2O2
Molecular Weight458.65 g/mol
Exact Mass458.29
IUPAC NameN-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide
SMILESCC(C)(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H38N2O2/c1-30(2,3)22-31-21-28(33)27(19-23-13-7-4-8-14-23)32-29(34)20-26(24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,26-28,31,33H,19-22H2,1-3H3,(H,32,34)/t27-,28+/m0/s1
InChIKeyANNGDRKIZUKLFR-WUFINQPMSA-N
XLogP4.93
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.65
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(5(S)-(t-Butyloxycarbonylamino)-4(S)-hydroxy-6-phenyl-2(R)-(3-phenylprop-2-en-1-yl)hexanoyl)-L-leucyl-L-phenylalaninamide
CID 5327463
tert-butyl N-[(2S,3S,5R)-5-{[(1S)-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-hydroxy-1-phenyl-5-(3-phenylpropyl)pentan-2-yl]carbamate
CID 5479341
tert-butyl N-[(2S,3S,5R)-5-benzyl-5-(benzylcarbamoyl)-3-hydroxy-1-phenylpentan-2-yl]carbamate
CID 6326370
N-[(1s,2r)-3-{[1-(3-Tert-Butylphenyl)cyclohexyl]amino}-1-(3,5-Difluorobenzyl)-2-Hydroxypropyl]acetamide
CID 11754571
(3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione
CID 25163982
(2S,3R)-3-amino-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide
CID 44309732
(1r,3s)-3-[1-(Acetylamino)-1-Methylethyl]-N-[(1s,2s,4r)-1-Benzyl-5-(Butylamino)-2-Hydroxy-4-Methyl-5-Oxopentyl]cyclohexanecarboxamide
CID 45259044
N-(trans-4-Hydroxycyclohexyl)-6-phenylhexanamide
CID 154665740
(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-N-[(1S,2R,3R,4S)-4-[[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-1-benzyl-2,3-dihydroxy-5-phenyl-pentyl]-3-methyl-butanamide
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Phebestin
CID 3075601
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CID 9865804
L-Lyxonamide, 4-((2-((6-amino-1-oxohexyl)amino)-3-methyl-1-oxobutyl)amino)-2,4,5-trideoxy-N-(2-methyl-1-(((phenylmethyl)amino)carbonyl)propyl)-5-phenyl-2-((phenylmethyl)amino)-, (1(S),4(S))-
CID 460227

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide?
The IUPAC name of N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide (CID 164614314) is N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide is CC(C)(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide?
The InChIKey is ANNGDRKIZUKLFR-WUFINQPMSA-N. The full InChI is InChI=1S/C30H38N2O2/c1-30(2,3)22-31-21-28(33)27(19-23-13-7-4-8-14-23)32-29(34)20-26(24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,26-28,31,33H,19-22H2,1-3H3,(H,32,34)/t27-,28+/m0/s1.
What are the key properties of N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide?
N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide has a molecular weight of 458.65 g/mol, XLogP of 4.93, 11 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]-3,3-diphenylpropanamide is sourced from PubChem (CID 164614314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).