3-amino-5-methoxy-N-(1-methoxybutan-2-yl)benzamide

C13H20N2O3 — CID 81091859

IUPAC3-amino-5-methoxy-N-(1-methoxybutan-2-yl)benzamide
SMILESCCC(COC)NC(=O)c1cc(N)cc(OC)c1
InChIInChI=1S/C13H20N2O3/c1-4-11(8-17-2)15-13(16)9-5-10(14)7-12(6-9)18-3/h5-7,11H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyGUFQSUJJWHWRKP-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.43
Rot. Bonds6

About 3-amino-5-methoxy-N-(1-methoxybutan-2-yl)benzamide

3-amino-5-methoxy-N-(1-methoxybutan-2-yl)benzamide (PubChem CID 81091859) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-amino-5-methoxy-N-(1-methoxybutan-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-5-methoxy-N-(1-methoxybutan-2-yl)benzamide
PubChem CID81091859
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-amino-5-methoxy-N-(1-methoxybutan-2-yl)benzamide
SMILESCCC(COC)NC(=O)c1cc(N)cc(OC)c1
InChIInChI=1S/C13H20N2O3/c1-4-11(8-17-2)15-13(16)9-5-10(14)7-12(6-9)18-3/h5-7,11H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyGUFQSUJJWHWRKP-UHFFFAOYSA-N
XLogP1.43
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-ethoxy-N-(1-methoxybutan-2-yl)benzamide
CID 81091951
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-5-methoxybenzamide
CID 106152027
3-amino-5-ethoxy-N-pentan-3-ylbenzamide
CID 81090876
4-amino-3,5-dichloro-N-(1-methoxybutan-2-yl)benzamide
CID 82832518
3-amino-N-hexan-2-yl-5-methoxybenzamide
CID 81090278
N-(4-bromo-1-methoxybutan-2-yl)-3,5-dimethoxybenzamide
CID 106156481
[2-oxo-2-(pentan-3-ylamino)ethyl] 3-amino-5-methoxybenzoate
CID 81095128
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-methoxybenzamide
CID 103106429
N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 40538172
3-amino-5-ethoxy-N-(4-methoxybutan-2-yl)benzamide
CID 81092041
3-amino-5-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 78985037
methyl 2-[(3-amino-5-methoxybenzoyl)amino]acetate
CID 81090884

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxy-N-(1-methoxybutan-2-yl)benzamide?
The IUPAC name of 3-amino-5-methoxy-N-(1-methoxybutan-2-yl)benzamide (CID 81091859) is 3-amino-5-methoxy-N-(1-methoxybutan-2-yl)benzamide.
What is the SMILES notation for 3-amino-5-methoxy-N-(1-methoxybutan-2-yl)benzamide?
The canonical SMILES for 3-amino-5-methoxy-N-(1-methoxybutan-2-yl)benzamide is CCC(COC)NC(=O)c1cc(N)cc(OC)c1.
What is the InChIKey of 3-amino-5-methoxy-N-(1-methoxybutan-2-yl)benzamide?
The InChIKey is GUFQSUJJWHWRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-11(8-17-2)15-13(16)9-5-10(14)7-12(6-9)18-3/h5-7,11H,4,8,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-5-methoxy-N-(1-methoxybutan-2-yl)benzamide?
3-amino-5-methoxy-N-(1-methoxybutan-2-yl)benzamide has a molecular weight of 252.31 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxy-N-(1-methoxybutan-2-yl)benzamide is sourced from PubChem (CID 81091859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).