3-amino-N-cyclopentyl-N-(furan-2-ylmethyl)butanamide

C14H22N2O2 — CID 54871048

IUPAC3-amino-N-cyclopentyl-N-(furan-2-ylmethyl)butanamide
SMILESCC(N)CC(=O)N(Cc1ccco1)C1CCCC1
InChIInChI=1S/C14H22N2O2/c1-11(15)9-14(17)16(12-5-2-3-6-12)10-13-7-4-8-18-13/h4,7-8,11-12H,2-3,5-6,9-10,15H2,1H3
InChIKeyOOEFFSXINJCMRM-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.29
Rot. Bonds5

About 3-amino-N-cyclopentyl-N-(furan-2-ylmethyl)butanamide

3-amino-N-cyclopentyl-N-(furan-2-ylmethyl)butanamide (PubChem CID 54871048) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N-cyclopentyl-N-(furan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name3-amino-N-cyclopentyl-N-(furan-2-ylmethyl)butanamide
PubChem CID54871048
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N-cyclopentyl-N-(furan-2-ylmethyl)butanamide
SMILESCC(N)CC(=O)N(Cc1ccco1)C1CCCC1
InChIInChI=1S/C14H22N2O2/c1-11(15)9-14(17)16(12-5-2-3-6-12)10-13-7-4-8-18-13/h4,7-8,11-12H,2-3,5-6,9-10,15H2,1H3
InChIKeyOOEFFSXINJCMRM-UHFFFAOYSA-N
XLogP2.29
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopentyl-N-(furan-2-ylmethyl)butanamide?
The IUPAC name of 3-amino-N-cyclopentyl-N-(furan-2-ylmethyl)butanamide (CID 54871048) is 3-amino-N-cyclopentyl-N-(furan-2-ylmethyl)butanamide.
What is the SMILES notation for 3-amino-N-cyclopentyl-N-(furan-2-ylmethyl)butanamide?
The canonical SMILES for 3-amino-N-cyclopentyl-N-(furan-2-ylmethyl)butanamide is CC(N)CC(=O)N(Cc1ccco1)C1CCCC1.
What is the InChIKey of 3-amino-N-cyclopentyl-N-(furan-2-ylmethyl)butanamide?
The InChIKey is OOEFFSXINJCMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(15)9-14(17)16(12-5-2-3-6-12)10-13-7-4-8-18-13/h4,7-8,11-12H,2-3,5-6,9-10,15H2,1H3.
What are the key properties of 3-amino-N-cyclopentyl-N-(furan-2-ylmethyl)butanamide?
3-amino-N-cyclopentyl-N-(furan-2-ylmethyl)butanamide has a molecular weight of 250.34 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopentyl-N-(furan-2-ylmethyl)butanamide is sourced from PubChem (CID 54871048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).