N-[2-(cyclopentylmethylamino)-2-oxoethyl]furan-3-carboxamide

C13H18N2O3 — CID 38304482

IUPACN-[2-(cyclopentylmethylamino)-2-oxoethyl]furan-3-carboxamide
SMILESO=C(CNC(=O)c1ccoc1)NCC1CCCC1
InChIInChI=1S/C13H18N2O3/c16-12(14-7-10-3-1-2-4-10)8-15-13(17)11-5-6-18-9-11/h5-6,9-10H,1-4,7-8H2,(H,14,16)(H,15,17)
InChIKeyLBRPGMOOMQVPSF-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.32
Rot. Bonds5

About N-[2-(cyclopentylmethylamino)-2-oxoethyl]furan-3-carboxamide

N-[2-(cyclopentylmethylamino)-2-oxoethyl]furan-3-carboxamide (PubChem CID 38304482) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[2-(cyclopentylmethylamino)-2-oxoethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylmethylamino)-2-oxoethyl]furan-3-carboxamide
PubChem CID38304482
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[2-(cyclopentylmethylamino)-2-oxoethyl]furan-3-carboxamide
SMILESO=C(CNC(=O)c1ccoc1)NCC1CCCC1
InChIInChI=1S/C13H18N2O3/c16-12(14-7-10-3-1-2-4-10)8-15-13(17)11-5-6-18-9-11/h5-6,9-10H,1-4,7-8H2,(H,14,16)(H,15,17)
InChIKeyLBRPGMOOMQVPSF-UHFFFAOYSA-N
XLogP1.32
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylmethylamino)-2-oxoethyl]furan-3-carboxamide?
The IUPAC name of N-[2-(cyclopentylmethylamino)-2-oxoethyl]furan-3-carboxamide (CID 38304482) is N-[2-(cyclopentylmethylamino)-2-oxoethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylmethylamino)-2-oxoethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-(cyclopentylmethylamino)-2-oxoethyl]furan-3-carboxamide is O=C(CNC(=O)c1ccoc1)NCC1CCCC1.
What is the InChIKey of N-[2-(cyclopentylmethylamino)-2-oxoethyl]furan-3-carboxamide?
The InChIKey is LBRPGMOOMQVPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-12(14-7-10-3-1-2-4-10)8-15-13(17)11-5-6-18-9-11/h5-6,9-10H,1-4,7-8H2,(H,14,16)(H,15,17).
What are the key properties of N-[2-(cyclopentylmethylamino)-2-oxoethyl]furan-3-carboxamide?
N-[2-(cyclopentylmethylamino)-2-oxoethyl]furan-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylmethylamino)-2-oxoethyl]furan-3-carboxamide is sourced from PubChem (CID 38304482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).