2-amino-N-cyclopropyl-5-methoxy-N-(3-methylbutyl)benzamide

C16H24N2O2 — CID 61105374

IUPAC2-amino-N-cyclopropyl-5-methoxy-N-(3-methylbutyl)benzamide
SMILESCOc1ccc(N)c(C(=O)N(CCC(C)C)C2CC2)c1
InChIInChI=1S/C16H24N2O2/c1-11(2)8-9-18(12-4-5-12)16(19)14-10-13(20-3)6-7-15(14)17/h6-7,10-12H,4-5,8-9,17H2,1-3H3
InChIKeyAJGYRGDLZFNEFQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.93
Rot. Bonds6

About 2-amino-N-cyclopropyl-5-methoxy-N-(3-methylbutyl)benzamide

2-amino-N-cyclopropyl-5-methoxy-N-(3-methylbutyl)benzamide (PubChem CID 61105374) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-5-methoxy-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-5-methoxy-N-(3-methylbutyl)benzamide
PubChem CID61105374
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-amino-N-cyclopropyl-5-methoxy-N-(3-methylbutyl)benzamide
SMILESCOc1ccc(N)c(C(=O)N(CCC(C)C)C2CC2)c1
InChIInChI=1S/C16H24N2O2/c1-11(2)8-9-18(12-4-5-12)16(19)14-10-13(20-3)6-7-15(14)17/h6-7,10-12H,4-5,8-9,17H2,1-3H3
InChIKeyAJGYRGDLZFNEFQ-UHFFFAOYSA-N
XLogP2.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-hydroxy-5-methoxy-N-(3-methylbutyl)benzamide
CID 115281180
2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-methoxybenzamide
CID 102858713
4-amino-N-cyclopropyl-3-methoxy-N-(3-methylbutyl)benzamide
CID 104782560
N-(2-bromoethyl)-N-cyclopropyl-2-hydroxy-5-methoxybenzamide
CID 80666154
N-(2-bromoethyl)-N-cyclopropyl-2,5-dimethoxybenzamide
CID 80665946
N-cyclopropyl-2-hydroxy-N-(3-methylbutyl)benzamide
CID 113224066
5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(3-methylbutyl)benzamide
CID 62815083
2-amino-N-cyclopropyl-4,5-dimethoxy-N-(2-methylpropyl)benzamide
CID 61107611
2-amino-5-methoxy-N-propan-2-yl-N-propylbenzamide
CID 54878406
4-amino-N-cyclopropyl-6-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 81239834
N-(2-chloroethyl)-N-cyclopropyl-2-hydroxy-5-methoxybenzamide
CID 63394206
3-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide
CID 54906107

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-5-methoxy-N-(3-methylbutyl)benzamide?
The IUPAC name of 2-amino-N-cyclopropyl-5-methoxy-N-(3-methylbutyl)benzamide (CID 61105374) is 2-amino-N-cyclopropyl-5-methoxy-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-5-methoxy-N-(3-methylbutyl)benzamide?
The canonical SMILES for 2-amino-N-cyclopropyl-5-methoxy-N-(3-methylbutyl)benzamide is COc1ccc(N)c(C(=O)N(CCC(C)C)C2CC2)c1.
What is the InChIKey of 2-amino-N-cyclopropyl-5-methoxy-N-(3-methylbutyl)benzamide?
The InChIKey is AJGYRGDLZFNEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)8-9-18(12-4-5-12)16(19)14-10-13(20-3)6-7-15(14)17/h6-7,10-12H,4-5,8-9,17H2,1-3H3.
What are the key properties of 2-amino-N-cyclopropyl-5-methoxy-N-(3-methylbutyl)benzamide?
2-amino-N-cyclopropyl-5-methoxy-N-(3-methylbutyl)benzamide has a molecular weight of 276.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-5-methoxy-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 61105374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).