2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(3-propan-2-yloxypropyl)propanamide

C24H31ClN2O3 — CID 133149478

IUPAC2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(3-propan-2-yloxypropyl)propanamide
SMILESCC(C)OCCCNC(=O)C(C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1
InChIInChI=1S/C24H31ClN2O3/c1-18(2)30-15-7-14-26-24(29)19(3)27(17-21-10-12-22(25)13-11-21)23(28)16-20-8-5-4-6-9-20/h4-6,8-13,18-19H,7,14-17H2,1-3H3,(H,26,29)
InChIKeyJLDFJVJUROPVBJ-UHFFFAOYSA-N
MW430.98 g/mol
LogP4.23
Rot. Bonds11

About 2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(3-propan-2-yloxypropyl)propanamide

2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(3-propan-2-yloxypropyl)propanamide (PubChem CID 133149478) has the molecular formula C24H31ClN2O3 and a molecular weight of 430.98 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(3-propan-2-yloxypropyl)propanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(3-propan-2-yloxypropyl)propanamide
PubChem CID133149478
Molecular FormulaC24H31ClN2O3
Molecular Weight430.98 g/mol
Exact Mass430.20
IUPAC Name2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(3-propan-2-yloxypropyl)propanamide
SMILESCC(C)OCCCNC(=O)C(C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1
InChIInChI=1S/C24H31ClN2O3/c1-18(2)30-15-7-14-26-24(29)19(3)27(17-21-10-12-22(25)13-11-21)23(28)16-20-8-5-4-6-9-20/h4-6,8-13,18-19H,7,14-17H2,1-3H3,(H,26,29)
InChIKeyJLDFJVJUROPVBJ-UHFFFAOYSA-N
XLogP4.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.98
LogP ≤ 54.23
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

2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
CID 133237698
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide
CID 132656046
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide
CID 132656017
2-[benzyl-(2-phenylacetyl)amino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide
CID 133214125
(2R)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-methylpropanamide
CID 100565411
N-[(4-chlorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(3-propan-2-yloxypropylamino)ethyl]-3-phenylpropanamide
CID 133237730
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-phenylethyl)propanamide
CID 133213149
2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
CID 133238250
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 133149475
(2S)-N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]propanamide
CID 100558894
(2S)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2S)-butan-2-yl]propanamide
CID 100520058
2-[benzyl-(2-phenylacetyl)amino]-N-pentylpropanamide
CID 133148977

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(3-propan-2-yloxypropyl)propanamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(3-propan-2-yloxypropyl)propanamide (CID 133149478) is 2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(3-propan-2-yloxypropyl)propanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(3-propan-2-yloxypropyl)propanamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(3-propan-2-yloxypropyl)propanamide is CC(C)OCCCNC(=O)C(C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(3-propan-2-yloxypropyl)propanamide?
The InChIKey is JLDFJVJUROPVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O3/c1-18(2)30-15-7-14-26-24(29)19(3)27(17-21-10-12-22(25)13-11-21)23(28)16-20-8-5-4-6-9-20/h4-6,8-13,18-19H,7,14-17H2,1-3H3,(H,26,29).
What are the key properties of 2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(3-propan-2-yloxypropyl)propanamide?
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(3-propan-2-yloxypropyl)propanamide has a molecular weight of 430.98 g/mol, XLogP of 4.23, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(3-propan-2-yloxypropyl)propanamide is sourced from PubChem (CID 133149478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).