N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(methylamino)butanamide;hydrochloride

C19H29ClN2O2 — CID 119774221

IUPACN-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-20-11-4-7-19(22)21(17-5-2-3-6-17)14-15-8-9-18-16(13-15)10-12-23-18;/h8-9,13,17,20H,2-7,10-12,14H2,1H3;1H
InChIKeyRSIXNDUHDMKKDK-UHFFFAOYSA-N
MW352.91 g/mol
LogP3.31
Rot. Bonds7

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

N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(methylamino)butanamide;hydrochloride (PubChem CID 119774221) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(methylamino)butanamide;hydrochloride
PubChem CID119774221
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC NameN-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-20-11-4-7-19(22)21(17-5-2-3-6-17)14-15-8-9-18-16(13-15)10-12-23-18;/h8-9,13,17,20H,2-7,10-12,14H2,1H3;1H
InChIKeyRSIXNDUHDMKKDK-UHFFFAOYSA-N
XLogP3.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butanamide
CID 119318110
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)acetamide
CID 71933671
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-hydroxycyclopentane-1-carboxamide
CID 110015662
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119715339
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
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]-3-oxopropanoic acid
CID 115163484
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylheptanamide
CID 42723814
(3R,4S)-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120931090
2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylacetamide
CID 115151665
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol
CID 115216972

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(methylamino)butanamide;hydrochloride (CID 119774221) is N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1.Cl.
What is the InChIKey of N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(methylamino)butanamide;hydrochloride?
The InChIKey is RSIXNDUHDMKKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2.ClH/c1-20-11-4-7-19(22)21(17-5-2-3-6-17)14-15-8-9-18-16(13-15)10-12-23-18;/h8-9,13,17,20H,2-7,10-12,14H2,1H3;1H.
What are the key properties of N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(methylamino)butanamide;hydrochloride?
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(methylamino)butanamide;hydrochloride has a molecular weight of 352.91 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119774221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).