N-(3-aminopropyl)-N-cyclopentyl-3,4-dihydroxybenzamide

C15H22N2O3 — CID 107727819

IUPACN-(3-aminopropyl)-N-cyclopentyl-3,4-dihydroxybenzamide
SMILESNCCCN(C(=O)c1ccc(O)c(O)c1)C1CCCC1
InChIInChI=1S/C15H22N2O3/c16-8-3-9-17(12-4-1-2-5-12)15(20)11-6-7-13(18)14(19)10-11/h6-7,10,12,18-19H,1-5,8-9,16H2
InChIKeyYJBYVJMMVGWOFF-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.83
Rot. Bonds5

About N-(3-aminopropyl)-N-cyclopentyl-3,4-dihydroxybenzamide

N-(3-aminopropyl)-N-cyclopentyl-3,4-dihydroxybenzamide (PubChem CID 107727819) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclopentyl-3,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclopentyl-3,4-dihydroxybenzamide
PubChem CID107727819
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(3-aminopropyl)-N-cyclopentyl-3,4-dihydroxybenzamide
SMILESNCCCN(C(=O)c1ccc(O)c(O)c1)C1CCCC1
InChIInChI=1S/C15H22N2O3/c16-8-3-9-17(12-4-1-2-5-12)15(20)11-6-7-13(18)14(19)10-11/h6-7,10,12,18-19H,1-5,8-9,16H2
InChIKeyYJBYVJMMVGWOFF-UHFFFAOYSA-N
XLogP1.83
TPSA86.79 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 ≤ 51.83
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-chloroethyl)-N-cyclopentyl-3,4-dihydroxybenzamide
CID 107728944
N-(2-chloroethyl)-N-cyclohexyl-3,4-dihydroxybenzamide
CID 107728945
N-(3-aminopropyl)-N-cycloheptyl-4-hydroxybenzamide
CID 43136887
N-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide
CID 43319433
N-(3-aminopropyl)-N-cycloheptyl-2-methylpyridine-4-carboxamide
CID 106752285
N-(3-aminopropyl)-N-cyclohexyl-3-methoxybenzamide
CID 43319405
N-(3-aminopropyl)-N-cycloheptylfuran-3-carboxamide
CID 43136891
N-(3-aminopropyl)-N-cycloheptylpyridazine-4-carboxamide
CID 104668877
N-(3-aminopropyl)-N-cyclopentylpyridine-3-carboxamide
CID 43136838
N-(3-aminopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide
CID 102873978
N-(3-aminopropyl)-N-cyclohexylpyridine-3-carboxamide
CID 43319410
N-(3-aminopropyl)-N-cyclopropyl-4-ethylbenzamide
CID 43136724

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclopentyl-3,4-dihydroxybenzamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclopentyl-3,4-dihydroxybenzamide (CID 107727819) is N-(3-aminopropyl)-N-cyclopentyl-3,4-dihydroxybenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclopentyl-3,4-dihydroxybenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclopentyl-3,4-dihydroxybenzamide is NCCCN(C(=O)c1ccc(O)c(O)c1)C1CCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclopentyl-3,4-dihydroxybenzamide?
The InChIKey is YJBYVJMMVGWOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c16-8-3-9-17(12-4-1-2-5-12)15(20)11-6-7-13(18)14(19)10-11/h6-7,10,12,18-19H,1-5,8-9,16H2.
What are the key properties of N-(3-aminopropyl)-N-cyclopentyl-3,4-dihydroxybenzamide?
N-(3-aminopropyl)-N-cyclopentyl-3,4-dihydroxybenzamide has a molecular weight of 278.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclopentyl-3,4-dihydroxybenzamide is sourced from PubChem (CID 107727819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).