2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-methoxybenzamide

C15H22N2O3 — CID 102858713

IUPAC2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)N(CCCO)C2CCC2)c1
InChIInChI=1S/C15H22N2O3/c1-20-12-6-7-14(16)13(10-12)15(19)17(8-3-9-18)11-4-2-5-11/h6-7,10-11,18H,2-5,8-9,16H2,1H3
InChIKeyVWEPYOMITQNUIY-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.65
Rot. Bonds6

About 2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-methoxybenzamide

2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-methoxybenzamide (PubChem CID 102858713) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-methoxybenzamide
PubChem CID102858713
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)N(CCCO)C2CCC2)c1
InChIInChI=1S/C15H22N2O3/c1-20-12-6-7-14(16)13(10-12)15(19)17(8-3-9-18)11-4-2-5-11/h6-7,10-11,18H,2-5,8-9,16H2,1H3
InChIKeyVWEPYOMITQNUIY-UHFFFAOYSA-N
XLogP1.65
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclobutyl-N-(3-hydroxypropyl)-2,5-dimethoxybenzamide
CID 102866390
2-amino-5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102864994
2-amino-N-cyclohexyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 115412770
2-amino-N-cyclopropyl-5-methoxy-N-(3-methylbutyl)benzamide
CID 61105374
N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 102866210
4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-methoxybenzamide
CID 102858749
N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-methoxybenzamide
CID 102872287
5-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
CID 102858844
2-amino-N-cyclohexyl-5-hydroxy-N-(2-hydroxyethyl)benzamide
CID 107074484
2-bromo-N-(2-chloroethyl)-N-cyclopentyl-5-methoxybenzamide
CID 63391871
4-amino-3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102861629
2-amino-N-cyclobutyl-5-fluoro-N-(2-hydroxyethyl)benzamide
CID 102858956

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-methoxybenzamide?
The IUPAC name of 2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-methoxybenzamide (CID 102858713) is 2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-methoxybenzamide.
What is the SMILES notation for 2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-methoxybenzamide?
The canonical SMILES for 2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-methoxybenzamide is COc1ccc(N)c(C(=O)N(CCCO)C2CCC2)c1.
What is the InChIKey of 2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-methoxybenzamide?
The InChIKey is VWEPYOMITQNUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-12-6-7-14(16)13(10-12)15(19)17(8-3-9-18)11-4-2-5-11/h6-7,10-11,18H,2-5,8-9,16H2,1H3.
What are the key properties of 2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-methoxybenzamide?
2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-methoxybenzamide has a molecular weight of 278.35 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-methoxybenzamide is sourced from PubChem (CID 102858713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).