3-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide

C16H24N2O — CID 54906107

IUPAC3-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide
SMILESCc1ccc(C(=O)N(CCC(C)C)C2CC2)cc1N
InChIInChI=1S/C16H24N2O/c1-11(2)8-9-18(14-6-7-14)16(19)13-5-4-12(3)15(17)10-13/h4-5,10-11,14H,6-9,17H2,1-3H3
InChIKeyFIOZLAWBZHCGRF-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.23
Rot. Bonds5

About 3-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide

3-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide (PubChem CID 54906107) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide
PubChem CID54906107
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide
SMILESCc1ccc(C(=O)N(CCC(C)C)C2CC2)cc1N
InChIInChI=1S/C16H24N2O/c1-11(2)8-9-18(14-6-7-14)16(19)13-5-4-12(3)15(17)10-13/h4-5,10-11,14H,6-9,17H2,1-3H3
InChIKeyFIOZLAWBZHCGRF-UHFFFAOYSA-N
XLogP3.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-hydroxy-4-methyl-N-(3-methylbutyl)benzamide
CID 78974536
3-amino-4-methyl-N,N-bis(3-methylbutyl)benzamide
CID 60939470
4-amino-N-cyclopropyl-3-methoxy-N-(3-methylbutyl)benzamide
CID 104782560
4-amino-N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzamide
CID 107075660
N-cyclopropyl-3-methyl-4-(methylamino)-N-(3-methylbutyl)benzamide
CID 78925719
4-carbamothioyl-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 78974487
N-cyclopropyl-3-hydroxy-4-iodo-N-(3-methylbutyl)benzamide
CID 104627610
3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-4-methylbenzamide
CID 60963343
3-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide
CID 61107794
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide
CID 43576906
4-(bromomethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 102851269
4-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 54875046

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide?
The IUPAC name of 3-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide (CID 54906107) is 3-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide?
The canonical SMILES for 3-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide is Cc1ccc(C(=O)N(CCC(C)C)C2CC2)cc1N.
What is the InChIKey of 3-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide?
The InChIKey is FIOZLAWBZHCGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(2)8-9-18(14-6-7-14)16(19)13-5-4-12(3)15(17)10-13/h4-5,10-11,14H,6-9,17H2,1-3H3.
What are the key properties of 3-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide?
3-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide has a molecular weight of 260.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 54906107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).