2-amino-N-cyclopropyl-4,5-dimethoxy-N-(2-methylpropyl)benzamide

C16H24N2O3 — CID 61107611

IUPAC2-amino-N-cyclopropyl-4,5-dimethoxy-N-(2-methylpropyl)benzamide
SMILESCOc1cc(N)c(C(=O)N(CC(C)C)C2CC2)cc1OC
InChIInChI=1S/C16H24N2O3/c1-10(2)9-18(11-5-6-11)16(19)12-7-14(20-3)15(21-4)8-13(12)17/h7-8,10-11H,5-6,9,17H2,1-4H3
InChIKeyQQOICZLNFDEOJX-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.55
Rot. Bonds6

About 2-amino-N-cyclopropyl-4,5-dimethoxy-N-(2-methylpropyl)benzamide

2-amino-N-cyclopropyl-4,5-dimethoxy-N-(2-methylpropyl)benzamide (PubChem CID 61107611) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-4,5-dimethoxy-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-4,5-dimethoxy-N-(2-methylpropyl)benzamide
PubChem CID61107611
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-amino-N-cyclopropyl-4,5-dimethoxy-N-(2-methylpropyl)benzamide
SMILESCOc1cc(N)c(C(=O)N(CC(C)C)C2CC2)cc1OC
InChIInChI=1S/C16H24N2O3/c1-10(2)9-18(11-5-6-11)16(19)12-7-14(20-3)15(21-4)8-13(12)17/h7-8,10-11H,5-6,9,17H2,1-4H3
InChIKeyQQOICZLNFDEOJX-UHFFFAOYSA-N
XLogP2.55
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-cyclopropyl-N-ethyl-4,5-dimethoxybenzamide
CID 43263713
2-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide
CID 63110252
2-amino-N-cyclopropyl-5-methoxy-N-(3-methylbutyl)benzamide
CID 61105374
2-amino-4,5-dimethoxy-N-methylbenzohydrazide
CID 145124941
5-amino-N-cyclopropyl-2-fluoro-N-(2-methylpropyl)benzamide
CID 61104994
4-amino-N-cyclopropyl-3-methoxy-N-(3-methylbutyl)benzamide
CID 104782560
2-amino-4,5-dimethoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 82183835
2-amino-N,N-diethyl-4,5-dimethoxybenzamide
CID 16776188
N-cyclopropyl-2-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)acetamide
CID 78860034
3-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide
CID 61107794
(2S)-3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 95540234
ethyl 3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoate
CID 84559096

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-4,5-dimethoxy-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-amino-N-cyclopropyl-4,5-dimethoxy-N-(2-methylpropyl)benzamide (CID 61107611) is 2-amino-N-cyclopropyl-4,5-dimethoxy-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-4,5-dimethoxy-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-amino-N-cyclopropyl-4,5-dimethoxy-N-(2-methylpropyl)benzamide is COc1cc(N)c(C(=O)N(CC(C)C)C2CC2)cc1OC.
What is the InChIKey of 2-amino-N-cyclopropyl-4,5-dimethoxy-N-(2-methylpropyl)benzamide?
The InChIKey is QQOICZLNFDEOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-10(2)9-18(11-5-6-11)16(19)12-7-14(20-3)15(21-4)8-13(12)17/h7-8,10-11H,5-6,9,17H2,1-4H3.
What are the key properties of 2-amino-N-cyclopropyl-4,5-dimethoxy-N-(2-methylpropyl)benzamide?
2-amino-N-cyclopropyl-4,5-dimethoxy-N-(2-methylpropyl)benzamide has a molecular weight of 292.38 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-4,5-dimethoxy-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 61107611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).