2-[benzyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-cyclopentylpropanamide

C26H34N2O3 — CID 132947940

IUPAC2-[benzyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-cyclopentylpropanamide
SMILESCC(C)c1ccccc1OCC(=O)N(Cc1ccccc1)C(C)C(=O)NC1CCCC1
InChIInChI=1S/C26H34N2O3/c1-19(2)23-15-9-10-16-24(23)31-18-25(29)28(17-21-11-5-4-6-12-21)20(3)26(30)27-22-13-7-8-14-22/h4-6,9-12,15-16,19-20,22H,7-8,13-14,17-18H2,1-3H3,(H,27,30)
InChIKeyWICODTMGVWSKAC-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.66
Rot. Bonds9

About 2-[benzyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-cyclopentylpropanamide

2-[benzyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-cyclopentylpropanamide (PubChem CID 132947940) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is 2-[benzyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[benzyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-cyclopentylpropanamide
PubChem CID132947940
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC Name2-[benzyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-cyclopentylpropanamide
SMILESCC(C)c1ccccc1OCC(=O)N(Cc1ccccc1)C(C)C(=O)NC1CCCC1
InChIInChI=1S/C26H34N2O3/c1-19(2)23-15-9-10-16-24(23)31-18-25(29)28(17-21-11-5-4-6-12-21)20(3)26(30)27-22-13-7-8-14-22/h4-6,9-12,15-16,19-20,22H,7-8,13-14,17-18H2,1-3H3,(H,27,30)
InChIKeyWICODTMGVWSKAC-UHFFFAOYSA-N
XLogP4.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 133175887
N-cyclopentyl-2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 132611360
2-[(4-chlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 133177867
N-cyclopentyl-2-[(4-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide
CID 132612919
(2R)-2-[(4-chlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-cyclohexylbutanamide
CID 100562213
(2S)-2-[(4-chlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-cyclohexylbutanamide
CID 100562207
(2S)-N-cyclohexyl-2-[(3-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-3-phenylpropanamide
CID 100585719
N-cyclopentyl-2-[(3-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide
CID 132612918
(2R)-N-cyclopentyl-2-[(2-fluorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-3-phenylpropanamide
CID 100513469
N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-3-phenylpropanamide
CID 133251569
(2S)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-3-phenylpropanamide
CID 100656375
2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 132985498

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-cyclopentylpropanamide?
The IUPAC name of 2-[benzyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-cyclopentylpropanamide (CID 132947940) is 2-[benzyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[benzyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[benzyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-cyclopentylpropanamide is CC(C)c1ccccc1OCC(=O)N(Cc1ccccc1)C(C)C(=O)NC1CCCC1.
What is the InChIKey of 2-[benzyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-cyclopentylpropanamide?
The InChIKey is WICODTMGVWSKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-19(2)23-15-9-10-16-24(23)31-18-25(29)28(17-21-11-5-4-6-12-21)20(3)26(30)27-22-13-7-8-14-22/h4-6,9-12,15-16,19-20,22H,7-8,13-14,17-18H2,1-3H3,(H,27,30).
What are the key properties of 2-[benzyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-cyclopentylpropanamide?
2-[benzyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-cyclopentylpropanamide has a molecular weight of 422.57 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-cyclopentylpropanamide is sourced from PubChem (CID 132947940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).