N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]butanamide

C28H38N2O4 — CID 132614985

IUPACN-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]butanamide
SMILESCCC(C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C28H38N2O4/c1-5-26(28(32)29-23-8-6-7-9-23)30(18-21-10-14-24(33-4)15-11-21)27(31)19-34-25-16-12-22(13-17-25)20(2)3/h10-17,20,23,26H,5-9,18-19H2,1-4H3,(H,29,32)
InChIKeyKVVXEVBWHWLUGQ-UHFFFAOYSA-N
MW466.62 g/mol
LogP5.06
Rot. Bonds11

About N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]butanamide

N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]butanamide (PubChem CID 132614985) has the molecular formula C28H38N2O4 and a molecular weight of 466.62 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]butanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]butanamide
PubChem CID132614985
Molecular FormulaC28H38N2O4
Molecular Weight466.62 g/mol
Exact Mass466.28
IUPAC NameN-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]butanamide
SMILESCCC(C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C28H38N2O4/c1-5-26(28(32)29-23-8-6-7-9-23)30(18-21-10-14-24(33-4)15-11-21)27(31)19-34-25-16-12-22(13-17-25)20(2)3/h10-17,20,23,26H,5-9,18-19H2,1-4H3,(H,29,32)
InChIKeyKVVXEVBWHWLUGQ-UHFFFAOYSA-N
XLogP5.06
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.62
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]butanamide
CID 100599373
2-[[2-(4-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132613943
(2S)-2-[[2-(4-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100594227
N-cyclopentyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 132611556
(2R)-N-cyclohexyl-2-[[2-(4-fluorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]butanamide
CID 100600902
2-[[2-(4-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132614500
N-cyclohexyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]butanamide
CID 132614969
N-cyclopentyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]butanamide
CID 132613364
(2S)-2-[benzyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100574876
(2R)-N-cyclohexyl-2-[4-(4-methoxyphenoxy)butanoyl-[(4-methoxyphenyl)methyl]amino]butanamide
CID 100598775
2-[(4-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-cyclohexylbutanamide
CID 132612093
(2S)-N-cyclohexyl-2-[[2-(2,5-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]butanamide
CID 100599323

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]butanamide?
The IUPAC name of N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]butanamide (CID 132614985) is N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]butanamide.
What is the SMILES notation for N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]butanamide?
The canonical SMILES for N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]butanamide is CCC(C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C(C)C)cc1.
What is the InChIKey of N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]butanamide?
The InChIKey is KVVXEVBWHWLUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O4/c1-5-26(28(32)29-23-8-6-7-9-23)30(18-21-10-14-24(33-4)15-11-21)27(31)19-34-25-16-12-22(13-17-25)20(2)3/h10-17,20,23,26H,5-9,18-19H2,1-4H3,(H,29,32).
What are the key properties of N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]butanamide?
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]butanamide has a molecular weight of 466.62 g/mol, XLogP of 5.06, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]butanamide is sourced from PubChem (CID 132614985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).