2-[benzyl-(2-phenylacetyl)amino]-N-(3-ethoxypropyl)-3-phenylpropanamide

C29H34N2O3 — CID 133214124

IUPAC2-[benzyl-(2-phenylacetyl)amino]-N-(3-ethoxypropyl)-3-phenylpropanamide
SMILESCCOCCCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1
InChIInChI=1S/C29H34N2O3/c1-2-34-20-12-19-30-29(33)27(21-24-13-6-3-7-14-24)31(23-26-17-10-5-11-18-26)28(32)22-25-15-8-4-9-16-25/h3-11,13-18,27H,2,12,19-23H2,1H3,(H,30,33)
InChIKeyXCBKFOYKSFAUSE-UHFFFAOYSA-N
MW458.60 g/mol
LogP4.41
Rot. Bonds13

About 2-[benzyl-(2-phenylacetyl)amino]-N-(3-ethoxypropyl)-3-phenylpropanamide

2-[benzyl-(2-phenylacetyl)amino]-N-(3-ethoxypropyl)-3-phenylpropanamide (PubChem CID 133214124) has the molecular formula C29H34N2O3 and a molecular weight of 458.60 g/mol. Its IUPAC name is 2-[benzyl-(2-phenylacetyl)amino]-N-(3-ethoxypropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-[benzyl-(2-phenylacetyl)amino]-N-(3-ethoxypropyl)-3-phenylpropanamide
PubChem CID133214124
Molecular FormulaC29H34N2O3
Molecular Weight458.60 g/mol
Exact Mass458.26
IUPAC Name2-[benzyl-(2-phenylacetyl)amino]-N-(3-ethoxypropyl)-3-phenylpropanamide
SMILESCCOCCCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1
InChIInChI=1S/C29H34N2O3/c1-2-34-20-12-19-30-29(33)27(21-24-13-6-3-7-14-24)31(23-26-17-10-5-11-18-26)28(32)22-25-15-8-4-9-16-25/h3-11,13-18,27H,2,12,19-23H2,1H3,(H,30,33)
InChIKeyXCBKFOYKSFAUSE-UHFFFAOYSA-N
XLogP4.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 133215163
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(3-ethoxypropyl)-3-phenylpropanamide
CID 133236153
2-[benzyl-(2-phenylacetyl)amino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide
CID 133214125
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(3-ethoxypropyl)-3-phenylpropanamide
CID 133214958
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3-ethoxypropyl)-3-phenylpropanamide
CID 133236504
N-butyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 133153411
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 133152610
N-butyl-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 133231748
2-[[2-(4-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132611969
(2S)-2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 100585388
(2S)-N-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100603449
(2R)-N-butyl-2-[(2,6-dichlorophenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 100697862

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-phenylacetyl)amino]-N-(3-ethoxypropyl)-3-phenylpropanamide?
The IUPAC name of 2-[benzyl-(2-phenylacetyl)amino]-N-(3-ethoxypropyl)-3-phenylpropanamide (CID 133214124) is 2-[benzyl-(2-phenylacetyl)amino]-N-(3-ethoxypropyl)-3-phenylpropanamide.
What is the SMILES notation for 2-[benzyl-(2-phenylacetyl)amino]-N-(3-ethoxypropyl)-3-phenylpropanamide?
The canonical SMILES for 2-[benzyl-(2-phenylacetyl)amino]-N-(3-ethoxypropyl)-3-phenylpropanamide is CCOCCCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-(2-phenylacetyl)amino]-N-(3-ethoxypropyl)-3-phenylpropanamide?
The InChIKey is XCBKFOYKSFAUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O3/c1-2-34-20-12-19-30-29(33)27(21-24-13-6-3-7-14-24)31(23-26-17-10-5-11-18-26)28(32)22-25-15-8-4-9-16-25/h3-11,13-18,27H,2,12,19-23H2,1H3,(H,30,33).
What are the key properties of 2-[benzyl-(2-phenylacetyl)amino]-N-(3-ethoxypropyl)-3-phenylpropanamide?
2-[benzyl-(2-phenylacetyl)amino]-N-(3-ethoxypropyl)-3-phenylpropanamide has a molecular weight of 458.60 g/mol, XLogP of 4.41, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2-phenylacetyl)amino]-N-(3-ethoxypropyl)-3-phenylpropanamide is sourced from PubChem (CID 133214124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).