N-cyclopentyl-2-[(3-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide

C28H38N2O3 — CID 132612918

IUPACN-cyclopentyl-2-[(3-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide
SMILESCCC(C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C
InChIInChI=1S/C28H38N2O3/c1-5-25(28(32)29-23-13-6-7-14-23)30(18-22-12-10-11-21(4)17-22)27(31)19-33-26-16-9-8-15-24(26)20(2)3/h8-12,15-17,20,23,25H,5-7,13-14,18-19H2,1-4H3,(H,29,32)
InChIKeyTXHYIYPMTNOCIC-UHFFFAOYSA-N
MW450.62 g/mol
LogP5.36
Rot. Bonds10

About N-cyclopentyl-2-[(3-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide

N-cyclopentyl-2-[(3-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide (PubChem CID 132612918) has the molecular formula C28H38N2O3 and a molecular weight of 450.62 g/mol. Its IUPAC name is N-cyclopentyl-2-[(3-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(3-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide
PubChem CID132612918
Molecular FormulaC28H38N2O3
Molecular Weight450.62 g/mol
Exact Mass450.29
IUPAC NameN-cyclopentyl-2-[(3-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide
SMILESCCC(C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C
InChIInChI=1S/C28H38N2O3/c1-5-25(28(32)29-23-13-6-7-14-23)30(18-22-12-10-11-21(4)17-22)27(31)19-33-26-16-9-8-15-24(26)20(2)3/h8-12,15-17,20,23,25H,5-7,13-14,18-19H2,1-4H3,(H,29,32)
InChIKeyTXHYIYPMTNOCIC-UHFFFAOYSA-N
XLogP5.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.62
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopentyl-2-[(3-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide with MolForge

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Related Compounds

(2S)-N-cyclohexyl-2-[(3-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-3-phenylpropanamide
CID 100585719
N-cyclopentyl-2-[(4-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide
CID 132612919
(2S)-N-cyclohexyl-2-[[2-(2-methoxyphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 100535664
N-cyclohexyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
CID 132615744
(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
N-cyclohexyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 132611757
2-[benzyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 133175887
2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-cyclopentylbutanamide
CID 132947939
2-[benzyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-cyclopentylpropanamide
CID 132947940
N-cyclopentyl-2-[[2-(2-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133263999
2-[[2-(4-chlorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132612049

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(3-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide?
The IUPAC name of N-cyclopentyl-2-[(3-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide (CID 132612918) is N-cyclopentyl-2-[(3-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide.
What is the SMILES notation for N-cyclopentyl-2-[(3-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide?
The canonical SMILES for N-cyclopentyl-2-[(3-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide is CCC(C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C.
What is the InChIKey of N-cyclopentyl-2-[(3-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide?
The InChIKey is TXHYIYPMTNOCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O3/c1-5-25(28(32)29-23-13-6-7-14-23)30(18-22-12-10-11-21(4)17-22)27(31)19-33-26-16-9-8-15-24(26)20(2)3/h8-12,15-17,20,23,25H,5-7,13-14,18-19H2,1-4H3,(H,29,32).
What are the key properties of N-cyclopentyl-2-[(3-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide?
N-cyclopentyl-2-[(3-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide has a molecular weight of 450.62 g/mol, XLogP of 5.36, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(3-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide is sourced from PubChem (CID 132612918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).