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

C18H26N2O3 — CID 113116340

IUPAC3-[acetyl(cyclopentyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCN(C(C)=O)C1CCCC1
InChIInChI=1S/C18H26N2O3/c1-14(21)20(16-8-4-5-9-16)12-11-18(22)19-13-15-7-3-6-10-17(15)23-2/h3,6-7,10,16H,4-5,8-9,11-13H2,1-2H3,(H,19,22)
InChIKeyPUCBFOHFYMONEQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.49
Rot. Bonds7

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

3-[acetyl(cyclopentyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 113116340) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-[acetyl(cyclopentyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(cyclopentyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID113116340
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name3-[acetyl(cyclopentyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCN(C(C)=O)C1CCCC1
InChIInChI=1S/C18H26N2O3/c1-14(21)20(16-8-4-5-9-16)12-11-18(22)19-13-15-7-3-6-10-17(15)23-2/h3,6-7,10,16H,4-5,8-9,11-13H2,1-2H3,(H,19,22)
InChIKeyPUCBFOHFYMONEQ-UHFFFAOYSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(cyclopentyl)amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113116338
3-[acetyl(cyclopentyl)amino]-N-benzylpropanamide
CID 113116330
N-[(2-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
CID 110838955
3-[acetyl(butan-2-yl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113116141
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113118403
3-[butyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 109021987
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113117675
3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113116736
N-[(2-methoxyphenyl)methyl]-2-[methyl(thian-4-yl)amino]acetamide
CID 91829099
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113119269
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate
CID 8019538
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113121361

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(cyclopentyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[acetyl(cyclopentyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide (CID 113116340) is 3-[acetyl(cyclopentyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[acetyl(cyclopentyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[acetyl(cyclopentyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)CCN(C(C)=O)C1CCCC1.
What is the InChIKey of 3-[acetyl(cyclopentyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is PUCBFOHFYMONEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-14(21)20(16-8-4-5-9-16)12-11-18(22)19-13-15-7-3-6-10-17(15)23-2/h3,6-7,10,16H,4-5,8-9,11-13H2,1-2H3,(H,19,22).
What are the key properties of 3-[acetyl(cyclopentyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide?
3-[acetyl(cyclopentyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 318.42 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(cyclopentyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 113116340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).