N-[1-[benzyl(2-phenylethyl)amino]-1-oxo-3-phenylpropan-2-yl]-3-chloro-2,2-dimethylpropanamide

C29H33ClN2O2 — CID 42704128

IUPACN-[1-[benzyl(2-phenylethyl)amino]-1-oxo-3-phenylpropan-2-yl]-3-chloro-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)NC(Cc1ccccc1)C(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C29H33ClN2O2/c1-29(2,22-30)28(34)31-26(20-24-14-8-4-9-15-24)27(33)32(21-25-16-10-5-11-17-25)19-18-23-12-6-3-7-13-23/h3-17,26H,18-22H2,1-2H3,(H,31,34)
InChIKeyBEAAKNCIZVQJIE-UHFFFAOYSA-N
MW477.05 g/mol
LogP5.25
Rot. Bonds11

About N-[1-[benzyl(2-phenylethyl)amino]-1-oxo-3-phenylpropan-2-yl]-3-chloro-2,2-dimethylpropanamide

N-[1-[benzyl(2-phenylethyl)amino]-1-oxo-3-phenylpropan-2-yl]-3-chloro-2,2-dimethylpropanamide (PubChem CID 42704128) has the molecular formula C29H33ClN2O2 and a molecular weight of 477.05 g/mol. Its IUPAC name is N-[1-[benzyl(2-phenylethyl)amino]-1-oxo-3-phenylpropan-2-yl]-3-chloro-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[benzyl(2-phenylethyl)amino]-1-oxo-3-phenylpropan-2-yl]-3-chloro-2,2-dimethylpropanamide
PubChem CID42704128
Molecular FormulaC29H33ClN2O2
Molecular Weight477.05 g/mol
Exact Mass476.22
IUPAC NameN-[1-[benzyl(2-phenylethyl)amino]-1-oxo-3-phenylpropan-2-yl]-3-chloro-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)NC(Cc1ccccc1)C(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C29H33ClN2O2/c1-29(2,22-30)28(34)31-26(20-24-14-8-4-9-15-24)27(33)32(21-25-16-10-5-11-17-25)19-18-23-12-6-3-7-13-23/h3-17,26H,18-22H2,1-2H3,(H,31,34)
InChIKeyBEAAKNCIZVQJIE-UHFFFAOYSA-N
XLogP5.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.05
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[1-[benzyl(2-phenylethyl)amino]-1-oxo-3-phenylpropan-2-yl]-3-chloro-2,2-dimethylpropanamide with MolForge

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Related Compounds

N-benzyl-2-[(2-bromophenyl)carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 42704142
N-benzyl-3-phenyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]propanamide
CID 42704140
N-benzyl-2-[(3-chlorophenyl)carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 10229409
(2R)-2-amino-N-benzyl-N-(2-phenylethyl)propanamide
CID 78973061
2-(2,2-dimethylbutanoylamino)-3-phenylpropanoic acid
CID 55102814
2-acetamido-N-benzyl-3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 4030996
3-chloro-2,2-dimethyl-N-[1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]propanamide
CID 42704771
2-amino-N-benzyl-N-(2-phenylethyl)pentanamide
CID 119264050
tert-butyl (2S)-2-[[2-hydroxyethyl(2-phenylethyl)carbamoyl]amino]-3-phenylpropanoate
CID 90957147
3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 63681272
N,N-dibenzyl-2-(2-phenylethylamino)butanamide
CID 164667444
2-(2,2-dimethylpropanoylamino)-3-phenylpropanoyl chloride;propan-2-one
CID 174435245

Frequently Asked Questions

What is the IUPAC name of N-[1-[benzyl(2-phenylethyl)amino]-1-oxo-3-phenylpropan-2-yl]-3-chloro-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[benzyl(2-phenylethyl)amino]-1-oxo-3-phenylpropan-2-yl]-3-chloro-2,2-dimethylpropanamide (CID 42704128) is N-[1-[benzyl(2-phenylethyl)amino]-1-oxo-3-phenylpropan-2-yl]-3-chloro-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[benzyl(2-phenylethyl)amino]-1-oxo-3-phenylpropan-2-yl]-3-chloro-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[benzyl(2-phenylethyl)amino]-1-oxo-3-phenylpropan-2-yl]-3-chloro-2,2-dimethylpropanamide is CC(C)(CCl)C(=O)NC(Cc1ccccc1)C(=O)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-[1-[benzyl(2-phenylethyl)amino]-1-oxo-3-phenylpropan-2-yl]-3-chloro-2,2-dimethylpropanamide?
The InChIKey is BEAAKNCIZVQJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClN2O2/c1-29(2,22-30)28(34)31-26(20-24-14-8-4-9-15-24)27(33)32(21-25-16-10-5-11-17-25)19-18-23-12-6-3-7-13-23/h3-17,26H,18-22H2,1-2H3,(H,31,34).
What are the key properties of N-[1-[benzyl(2-phenylethyl)amino]-1-oxo-3-phenylpropan-2-yl]-3-chloro-2,2-dimethylpropanamide?
N-[1-[benzyl(2-phenylethyl)amino]-1-oxo-3-phenylpropan-2-yl]-3-chloro-2,2-dimethylpropanamide has a molecular weight of 477.05 g/mol, XLogP of 5.25, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[benzyl(2-phenylethyl)amino]-1-oxo-3-phenylpropan-2-yl]-3-chloro-2,2-dimethylpropanamide is sourced from PubChem (CID 42704128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).