2-amino-3-methoxy-N-(3-methylpentan-3-yl)benzamide

C14H22N2O2 — CID 114174079

IUPAC2-amino-3-methoxy-N-(3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CC)NC(=O)c1cccc(OC)c1N
InChIInChI=1S/C14H22N2O2/c1-5-14(3,6-2)16-13(17)10-8-7-9-11(18-4)12(10)15/h7-9H,5-6,15H2,1-4H3,(H,16,17)
InChIKeyGWMZSEGNADJOOB-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.59
Rot. Bonds5

About 2-amino-3-methoxy-N-(3-methylpentan-3-yl)benzamide

2-amino-3-methoxy-N-(3-methylpentan-3-yl)benzamide (PubChem CID 114174079) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-(3-methylpentan-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-(3-methylpentan-3-yl)benzamide
PubChem CID114174079
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-3-methoxy-N-(3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CC)NC(=O)c1cccc(OC)c1N
InChIInChI=1S/C14H22N2O2/c1-5-14(3,6-2)16-13(17)10-8-7-9-11(18-4)12(10)15/h7-9H,5-6,15H2,1-4H3,(H,16,17)
InChIKeyGWMZSEGNADJOOB-UHFFFAOYSA-N
XLogP2.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.59
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-3-methyl-N-(3-methylpentan-3-yl)benzamide
CID 114174059
N-(1-amino-2-methylbutan-2-yl)-2,3-dimethoxybenzamide
CID 64550717
2-amino-3,5-dimethoxy-N-(3-methylpentan-3-yl)benzamide
CID 106327779
N-(1-chloro-2-methylbutan-2-yl)-2,3-dimethoxybenzamide
CID 113273131
3-amino-2-hydroxy-N-(3-methylpentan-3-yl)benzamide
CID 114174076
N-(1-bromo-3-methylpentan-3-yl)-2-hydroxy-3-methoxybenzamide
CID 114153212
2-amino-1-(2-amino-3-methoxyphenyl)ethanone
CID 105438693
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2,3-dimethoxybenzamide
CID 61120213
2-amino-3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164041
3-methoxy-1-N-(3-methylpentan-3-yl)benzene-1,2-diamine
CID 106328150
2-amino-3-methoxy-N-(2-methoxypropyl)benzamide
CID 102694295
2-amino-N-(4-hydroxybutan-2-yl)-3-methoxybenzamide
CID 83177577

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-(3-methylpentan-3-yl)benzamide?
The IUPAC name of 2-amino-3-methoxy-N-(3-methylpentan-3-yl)benzamide (CID 114174079) is 2-amino-3-methoxy-N-(3-methylpentan-3-yl)benzamide.
What is the SMILES notation for 2-amino-3-methoxy-N-(3-methylpentan-3-yl)benzamide?
The canonical SMILES for 2-amino-3-methoxy-N-(3-methylpentan-3-yl)benzamide is CCC(C)(CC)NC(=O)c1cccc(OC)c1N.
What is the InChIKey of 2-amino-3-methoxy-N-(3-methylpentan-3-yl)benzamide?
The InChIKey is GWMZSEGNADJOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-14(3,6-2)16-13(17)10-8-7-9-11(18-4)12(10)15/h7-9H,5-6,15H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-3-methoxy-N-(3-methylpentan-3-yl)benzamide?
2-amino-3-methoxy-N-(3-methylpentan-3-yl)benzamide has a molecular weight of 250.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-(3-methylpentan-3-yl)benzamide is sourced from PubChem (CID 114174079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).