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

C16H24N2O2 — CID 104782560

IUPAC4-amino-N-cyclopropyl-3-methoxy-N-(3-methylbutyl)benzamide
SMILESCOc1cc(C(=O)N(CCC(C)C)C2CC2)ccc1N
InChIInChI=1S/C16H24N2O2/c1-11(2)8-9-18(13-5-6-13)16(19)12-4-7-14(17)15(10-12)20-3/h4,7,10-11,13H,5-6,8-9,17H2,1-3H3
InChIKeySQOKXUAQOXRQOO-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.93
Rot. Bonds6

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

4-amino-N-cyclopropyl-3-methoxy-N-(3-methylbutyl)benzamide (PubChem CID 104782560) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-3-methoxy-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-3-methoxy-N-(3-methylbutyl)benzamide
PubChem CID104782560
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-amino-N-cyclopropyl-3-methoxy-N-(3-methylbutyl)benzamide
SMILESCOc1cc(C(=O)N(CCC(C)C)C2CC2)ccc1N
InChIInChI=1S/C16H24N2O2/c1-11(2)8-9-18(13-5-6-13)16(19)12-4-7-14(17)15(10-12)20-3/h4,7,10-11,13H,5-6,8-9,17H2,1-3H3
InChIKeySQOKXUAQOXRQOO-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

3-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide
CID 54906107
4-amino-N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzamide
CID 107075660
2-amino-N-cyclopropyl-5-methoxy-N-(3-methylbutyl)benzamide
CID 61105374
N-cyclopropyl-3-hydroxy-4-methyl-N-(3-methylbutyl)benzamide
CID 78974536
4-amino-N-cyclopropyl-3-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 104782633
4-carbamothioyl-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 78974487
N-cyclopropyl-3-hydroxy-4-iodo-N-(3-methylbutyl)benzamide
CID 104627610
N-cyclopropyl-3-methyl-4-(methylamino)-N-(3-methylbutyl)benzamide
CID 78925719
4-(bromomethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 102851269
4-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 54875046
methyl 3-[(4-amino-3-methoxybenzoyl)-methylamino]-2-methylpropanoate
CID 104782621
4-amino-3-methoxy-N-(4-methylpentyl)benzamide
CID 104782675

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-3-methoxy-N-(3-methylbutyl)benzamide?
The IUPAC name of 4-amino-N-cyclopropyl-3-methoxy-N-(3-methylbutyl)benzamide (CID 104782560) is 4-amino-N-cyclopropyl-3-methoxy-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-3-methoxy-N-(3-methylbutyl)benzamide?
The canonical SMILES for 4-amino-N-cyclopropyl-3-methoxy-N-(3-methylbutyl)benzamide is COc1cc(C(=O)N(CCC(C)C)C2CC2)ccc1N.
What is the InChIKey of 4-amino-N-cyclopropyl-3-methoxy-N-(3-methylbutyl)benzamide?
The InChIKey is SQOKXUAQOXRQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)8-9-18(13-5-6-13)16(19)12-4-7-14(17)15(10-12)20-3/h4,7,10-11,13H,5-6,8-9,17H2,1-3H3.
What are the key properties of 4-amino-N-cyclopropyl-3-methoxy-N-(3-methylbutyl)benzamide?
4-amino-N-cyclopropyl-3-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 4-amino-N-cyclopropyl-3-methoxy-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 104782560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).