4-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butanamide

C18H26N2O2 — CID 119318110

IUPAC4-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butanamide
SMILESNCCCC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1
InChIInChI=1S/C18H26N2O2/c19-10-3-6-18(21)20(16-4-1-2-5-16)13-14-7-8-17-15(12-14)9-11-22-17/h7-8,12,16H,1-6,9-11,13,19H2
InChIKeyGRJOTWGZTSZMAI-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.63
Rot. Bonds6

About 4-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butanamide

4-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butanamide (PubChem CID 119318110) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butanamide.

Molecular Properties

Compound Name4-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butanamide
PubChem CID119318110
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name4-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butanamide
SMILESNCCCC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1
InChIInChI=1S/C18H26N2O2/c19-10-3-6-18(21)20(16-4-1-2-5-16)13-14-7-8-17-15(12-14)9-11-22-17/h7-8,12,16H,1-6,9-11,13,19H2
InChIKeyGRJOTWGZTSZMAI-UHFFFAOYSA-N
XLogP2.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propanamide;hydrochloride
CID 119318097
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(methylamino)butanamide;hydrochloride
CID 119774221
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)acetamide
CID 71933671
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-hydroxycyclopentane-1-carboxamide
CID 110015662
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119318107
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 127856330
2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylacetamide
CID 115151665
7-amino-N-benzyl-N-cyclohexylheptanamide
CID 119729560
2-amino-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 39362122
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylheptanamide
CID 42723814
N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methylbutane-1,4-diamine
CID 115201324
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]-3-oxopropanoic acid
CID 115163484

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butanamide?
The IUPAC name of 4-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butanamide (CID 119318110) is 4-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butanamide.
What is the SMILES notation for 4-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butanamide?
The canonical SMILES for 4-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butanamide is NCCCC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1.
What is the InChIKey of 4-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butanamide?
The InChIKey is GRJOTWGZTSZMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c19-10-3-6-18(21)20(16-4-1-2-5-16)13-14-7-8-17-15(12-14)9-11-22-17/h7-8,12,16H,1-6,9-11,13,19H2.
What are the key properties of 4-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butanamide?
4-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butanamide has a molecular weight of 302.42 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butanamide is sourced from PubChem (CID 119318110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).