N-[2-[cyclopentyl(methyl)amino]ethyl]-3,4-dihydroxybenzamide

C15H22N2O3 — CID 103956034

IUPACN-[2-[cyclopentyl(methyl)amino]ethyl]-3,4-dihydroxybenzamide
SMILESCN(CCNC(=O)c1ccc(O)c(O)c1)C1CCCC1
InChIInChI=1S/C15H22N2O3/c1-17(12-4-2-3-5-12)9-8-16-15(20)11-6-7-13(18)14(19)10-11/h6-7,10,12,18-19H,2-5,8-9H2,1H3,(H,16,20)
InChIKeyMNUCTILDVLNSTR-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.70
Rot. Bonds5

About N-[2-[cyclopentyl(methyl)amino]ethyl]-3,4-dihydroxybenzamide

N-[2-[cyclopentyl(methyl)amino]ethyl]-3,4-dihydroxybenzamide (PubChem CID 103956034) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[2-[cyclopentyl(methyl)amino]ethyl]-3,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[2-[cyclopentyl(methyl)amino]ethyl]-3,4-dihydroxybenzamide
PubChem CID103956034
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[2-[cyclopentyl(methyl)amino]ethyl]-3,4-dihydroxybenzamide
SMILESCN(CCNC(=O)c1ccc(O)c(O)c1)C1CCCC1
InChIInChI=1S/C15H22N2O3/c1-17(12-4-2-3-5-12)9-8-16-15(20)11-6-7-13(18)14(19)10-11/h6-7,10,12,18-19H,2-5,8-9H2,1H3,(H,16,20)
InChIKeyMNUCTILDVLNSTR-UHFFFAOYSA-N
XLogP1.70
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[2-[cyclopentyl(methyl)amino]ethyl]-3-hydroxy-4-iodobenzamide
CID 104628315
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxy-4-methoxybenzamide
CID 79673447
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-methylbenzamide
CID 121420012
N-[2-[cyclopentyl(methyl)amino]ethyl]-4-(ethylamino)benzamide
CID 63316486
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzamide
CID 62059516
N-[2-[cyclopentyl(methyl)amino]ethyl]-4-fluoro-2-hydroxybenzamide
CID 103829954
2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-(methylamino)pyridine-4-carboxamide
CID 63317161
N-[2-[cyclopropyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614971
N-[2-[cyclopentyl(methyl)amino]ethyl]-2-hydroxy-4-methoxybenzamide
CID 63316349
N-[2-[cyclopentyl(methyl)amino]ethyl]-3-hydroxypyridine-4-carboxamide
CID 80707249
N-[3-(dimethylamino)-3-oxopropyl]-3,4-dihydroxybenzamide
CID 103955611
N-[2-[cyclopropyl(methyl)amino]ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 47799154

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopentyl(methyl)amino]ethyl]-3,4-dihydroxybenzamide?
The IUPAC name of N-[2-[cyclopentyl(methyl)amino]ethyl]-3,4-dihydroxybenzamide (CID 103956034) is N-[2-[cyclopentyl(methyl)amino]ethyl]-3,4-dihydroxybenzamide.
What is the SMILES notation for N-[2-[cyclopentyl(methyl)amino]ethyl]-3,4-dihydroxybenzamide?
The canonical SMILES for N-[2-[cyclopentyl(methyl)amino]ethyl]-3,4-dihydroxybenzamide is CN(CCNC(=O)c1ccc(O)c(O)c1)C1CCCC1.
What is the InChIKey of N-[2-[cyclopentyl(methyl)amino]ethyl]-3,4-dihydroxybenzamide?
The InChIKey is MNUCTILDVLNSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-17(12-4-2-3-5-12)9-8-16-15(20)11-6-7-13(18)14(19)10-11/h6-7,10,12,18-19H,2-5,8-9H2,1H3,(H,16,20).
What are the key properties of N-[2-[cyclopentyl(methyl)amino]ethyl]-3,4-dihydroxybenzamide?
N-[2-[cyclopentyl(methyl)amino]ethyl]-3,4-dihydroxybenzamide has a molecular weight of 278.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopentyl(methyl)amino]ethyl]-3,4-dihydroxybenzamide is sourced from PubChem (CID 103956034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).