4-amino-N-[1-(4-methoxyphenyl)cyclopentyl]butanamide

C16H24N2O2 — CID 119309997

IUPAC4-amino-N-[1-(4-methoxyphenyl)cyclopentyl]butanamide
SMILESCOc1ccc(C2(NC(=O)CCCN)CCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-20-14-8-6-13(7-9-14)16(10-2-3-11-16)18-15(19)5-4-12-17/h6-9H,2-5,10-12,17H2,1H3,(H,18,19)
InChIKeyKOLKYQRMVGGWFB-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.32
Rot. Bonds6

About 4-amino-N-[1-(4-methoxyphenyl)cyclopentyl]butanamide

4-amino-N-[1-(4-methoxyphenyl)cyclopentyl]butanamide (PubChem CID 119309997) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-amino-N-[1-(4-methoxyphenyl)cyclopentyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-methoxyphenyl)cyclopentyl]butanamide
PubChem CID119309997
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-amino-N-[1-(4-methoxyphenyl)cyclopentyl]butanamide
SMILESCOc1ccc(C2(NC(=O)CCCN)CCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-20-14-8-6-13(7-9-14)16(10-2-3-11-16)18-15(19)5-4-12-17/h6-9H,2-5,10-12,17H2,1H3,(H,18,19)
InChIKeyKOLKYQRMVGGWFB-UHFFFAOYSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-methoxyphenyl)cyclopentyl]butanamide?
The IUPAC name of 4-amino-N-[1-(4-methoxyphenyl)cyclopentyl]butanamide (CID 119309997) is 4-amino-N-[1-(4-methoxyphenyl)cyclopentyl]butanamide.
What is the SMILES notation for 4-amino-N-[1-(4-methoxyphenyl)cyclopentyl]butanamide?
The canonical SMILES for 4-amino-N-[1-(4-methoxyphenyl)cyclopentyl]butanamide is COc1ccc(C2(NC(=O)CCCN)CCCC2)cc1.
What is the InChIKey of 4-amino-N-[1-(4-methoxyphenyl)cyclopentyl]butanamide?
The InChIKey is KOLKYQRMVGGWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-14-8-6-13(7-9-14)16(10-2-3-11-16)18-15(19)5-4-12-17/h6-9H,2-5,10-12,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-[1-(4-methoxyphenyl)cyclopentyl]butanamide?
4-amino-N-[1-(4-methoxyphenyl)cyclopentyl]butanamide has a molecular weight of 276.38 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-methoxyphenyl)cyclopentyl]butanamide is sourced from PubChem (CID 119309997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).