5-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2,4-dimethylbenzamide

C16H24N2O2 — CID 102858844

IUPAC5-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)N(CCCO)C2CCC2)cc1N
InChIInChI=1S/C16H24N2O2/c1-11-9-12(2)15(17)10-14(11)16(20)18(7-4-8-19)13-5-3-6-13/h9-10,13,19H,3-8,17H2,1-2H3
InChIKeyPFISDHBFHASLTL-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.26
Rot. Bonds5

About 5-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2,4-dimethylbenzamide

5-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2,4-dimethylbenzamide (PubChem CID 102858844) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
PubChem CID102858844
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name5-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)N(CCCO)C2CCC2)cc1N
InChIInChI=1S/C16H24N2O2/c1-11-9-12(2)15(17)10-14(11)16(20)18(7-4-8-19)13-5-3-6-13/h9-10,13,19H,3-8,17H2,1-2H3
InChIKeyPFISDHBFHASLTL-UHFFFAOYSA-N
XLogP2.26
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102864994
2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-methoxybenzamide
CID 102858713
5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2,4-dimethylbenzamide
CID 102705640
4-amino-3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102861629
4-amino-3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102858723
4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-methoxybenzamide
CID 102858749
4-bromo-N-cyclobutyl-N-(3-hydroxypropyl)-2-sulfanylbenzamide
CID 107036757
4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide
CID 102858837
N-cyclobutyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide
CID 102685018
3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbenzamide
CID 107097897
2-amino-N-cyclobutyl-5-fluoro-N-(2-hydroxyethyl)benzamide
CID 102858956
4-(bromomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102861173

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2,4-dimethylbenzamide (CID 102858844) is 5-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2,4-dimethylbenzamide is Cc1cc(C)c(C(=O)N(CCCO)C2CCC2)cc1N.
What is the InChIKey of 5-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2,4-dimethylbenzamide?
The InChIKey is PFISDHBFHASLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-9-12(2)15(17)10-14(11)16(20)18(7-4-8-19)13-5-3-6-13/h9-10,13,19H,3-8,17H2,1-2H3.
What are the key properties of 5-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2,4-dimethylbenzamide?
5-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2,4-dimethylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 102858844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).