N-cyclopentyl-2-[[2-(2-fluorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide

C24H29FN2O3 — CID 132984667

IUPACN-cyclopentyl-2-[[2-(2-fluorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
SMILESCOc1cccc(CN(C(=O)Cc2ccccc2F)C(C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C24H29FN2O3/c1-17(24(29)26-20-10-4-5-11-20)27(16-18-8-7-12-21(14-18)30-2)23(28)15-19-9-3-6-13-22(19)25/h3,6-9,12-14,17,20H,4-5,10-11,15-16H2,1-2H3,(H,26,29)
InChIKeyCVWJTDQPBMQKSR-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.85
Rot. Bonds8

About N-cyclopentyl-2-[[2-(2-fluorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide

N-cyclopentyl-2-[[2-(2-fluorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide (PubChem CID 132984667) has the molecular formula C24H29FN2O3 and a molecular weight of 412.51 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-(2-fluorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-(2-fluorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
PubChem CID132984667
Molecular FormulaC24H29FN2O3
Molecular Weight412.51 g/mol
Exact Mass412.22
IUPAC NameN-cyclopentyl-2-[[2-(2-fluorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
SMILESCOc1cccc(CN(C(=O)Cc2ccccc2F)C(C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C24H29FN2O3/c1-17(24(29)26-20-10-4-5-11-20)27(16-18-8-7-12-21(14-18)30-2)23(28)15-19-9-3-6-13-22(19)25/h3,6-9,12-14,17,20H,4-5,10-11,15-16H2,1-2H3,(H,26,29)
InChIKeyCVWJTDQPBMQKSR-UHFFFAOYSA-N
XLogP3.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132610381
2-[(3-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-cyclohexylpropanamide
CID 133247358
(2S)-2-[[2-(4-chlorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100509731
(2R)-N-cyclohexyl-2-[(3-methoxyphenyl)methyl-propanoylamino]propanamide
CID 100511579
N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
CID 132611302
2-[[2-(3-chlorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132612036
N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(3-methoxyphenyl)methyl]-3,3-diphenylpropanamide
CID 100510531
N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(3-methoxyphenyl)methyl]butanamide
CID 132761774
(2S)-N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100559703
2-[3-(2-chlorophenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132612056
N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(3-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 100509916
N-cyclopentyl-2-[(3-methoxyphenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]propanamide
CID 132610225

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-(2-fluorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide?
The IUPAC name of N-cyclopentyl-2-[[2-(2-fluorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide (CID 132984667) is N-cyclopentyl-2-[[2-(2-fluorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-(2-fluorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[[2-(2-fluorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide is COc1cccc(CN(C(=O)Cc2ccccc2F)C(C)C(=O)NC2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-2-[[2-(2-fluorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide?
The InChIKey is CVWJTDQPBMQKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O3/c1-17(24(29)26-20-10-4-5-11-20)27(16-18-8-7-12-21(14-18)30-2)23(28)15-19-9-3-6-13-22(19)25/h3,6-9,12-14,17,20H,4-5,10-11,15-16H2,1-2H3,(H,26,29).
What are the key properties of N-cyclopentyl-2-[[2-(2-fluorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide?
N-cyclopentyl-2-[[2-(2-fluorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide has a molecular weight of 412.51 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-(2-fluorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide is sourced from PubChem (CID 132984667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).