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

C15H22N2O3 — CID 102858749

IUPAC4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-methoxybenzamide
SMILESCOc1cc(N)ccc1C(=O)N(CCCO)C1CCC1
InChIInChI=1S/C15H22N2O3/c1-20-14-10-11(16)6-7-13(14)15(19)17(8-3-9-18)12-4-2-5-12/h6-7,10,12,18H,2-5,8-9,16H2,1H3
InChIKeyLNKBVNITPRQVDW-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.65
Rot. Bonds6

About 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-methoxybenzamide

4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-methoxybenzamide (PubChem CID 102858749) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-methoxybenzamide
PubChem CID102858749
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-methoxybenzamide
SMILESCOc1cc(N)ccc1C(=O)N(CCCO)C1CCC1
InChIInChI=1S/C15H22N2O3/c1-20-14-10-11(16)6-7-13(14)15(19)17(8-3-9-18)12-4-2-5-12/h6-7,10,12,18H,2-5,8-9,16H2,1H3
InChIKeyLNKBVNITPRQVDW-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-N-cyclobutyl-N-(3-hydroxypropyl)-5-methoxybenzamide
CID 102858713
4-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 102867141
5-amino-N-cyclopentyl-N-ethyl-2-methoxybenzamide
CID 61094826
5-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
CID 102858844
2-amino-5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102864994
N-(2-bromoethyl)-N-cyclopentyl-2,4-dimethoxybenzamide
CID 80652711
N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 102866210
4-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-methoxybenzamide
CID 55186100
N-(3-aminopropyl)-N-cyclopentyl-2-methoxy-5-methylbenzamide
CID 62504725
2-amino-N-cyclohexyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 115412770
N-cyclobutyl-2-fluoro-4-hydroxy-N-(3-hydroxypropyl)benzamide
CID 102978235

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-methoxybenzamide?
The IUPAC name of 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-methoxybenzamide (CID 102858749) is 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-methoxybenzamide.
What is the SMILES notation for 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-methoxybenzamide?
The canonical SMILES for 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-methoxybenzamide is COc1cc(N)ccc1C(=O)N(CCCO)C1CCC1.
What is the InChIKey of 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-methoxybenzamide?
The InChIKey is LNKBVNITPRQVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-14-10-11(16)6-7-13(14)15(19)17(8-3-9-18)12-4-2-5-12/h6-7,10,12,18H,2-5,8-9,16H2,1H3.
What are the key properties of 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-methoxybenzamide?
4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-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 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-methoxybenzamide is sourced from PubChem (CID 102858749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).