2-amino-3,5-dimethoxy-N-(3-methylbutyl)benzamide

C14H22N2O3 — CID 112606081

IUPAC2-amino-3,5-dimethoxy-N-(3-methylbutyl)benzamide
SMILESCOc1cc(OC)c(N)c(C(=O)NCCC(C)C)c1
InChIInChI=1S/C14H22N2O3/c1-9(2)5-6-16-14(17)11-7-10(18-3)8-12(19-4)13(11)15/h7-9H,5-6,15H2,1-4H3,(H,16,17)
InChIKeyKQSFLOJWBXCINE-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.06
Rot. Bonds6

About 2-amino-3,5-dimethoxy-N-(3-methylbutyl)benzamide

2-amino-3,5-dimethoxy-N-(3-methylbutyl)benzamide (PubChem CID 112606081) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-amino-3,5-dimethoxy-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name2-amino-3,5-dimethoxy-N-(3-methylbutyl)benzamide
PubChem CID112606081
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-amino-3,5-dimethoxy-N-(3-methylbutyl)benzamide
SMILESCOc1cc(OC)c(N)c(C(=O)NCCC(C)C)c1
InChIInChI=1S/C14H22N2O3/c1-9(2)5-6-16-14(17)11-7-10(18-3)8-12(19-4)13(11)15/h7-9H,5-6,15H2,1-4H3,(H,16,17)
InChIKeyKQSFLOJWBXCINE-UHFFFAOYSA-N
XLogP2.06
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.06
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

2-amino-N-(2-fluoroethyl)-3,5-dimethoxybenzamide
CID 114266909
2-amino-N-butyl-3,5-dimethoxybenzamide
CID 112606080
2-amino-N-ethyl-3,5-dimethoxybenzamide
CID 112606069
2-amino-N-(4-hydroxy-2-methylbutyl)-3,5-dimethoxybenzamide
CID 115950742
2-amino-3,5-dimethoxy-N-(4,4,4-trifluorobutyl)benzamide
CID 115950778
2-amino-N-(5-hydroxypentan-2-yl)-3,5-dimethoxybenzamide
CID 115950760
2-amino-3,5-dimethoxy-N-(3-methylpentan-2-yl)benzamide
CID 115950600
2-amino-N-[4-(dimethylamino)butan-2-yl]-3,5-dimethoxybenzamide
CID 115950608
2-amino-3,5-dimethoxy-N-(2-methylpentan-3-yl)benzamide
CID 115950603
2-amino-3,5-dimethoxy-N-(3-methylpentan-3-yl)benzamide
CID 106327779
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
N-(3-chlorobutyl)-2,4-dimethoxybenzamide
CID 114301807

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-dimethoxy-N-(3-methylbutyl)benzamide?
The IUPAC name of 2-amino-3,5-dimethoxy-N-(3-methylbutyl)benzamide (CID 112606081) is 2-amino-3,5-dimethoxy-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 2-amino-3,5-dimethoxy-N-(3-methylbutyl)benzamide?
The canonical SMILES for 2-amino-3,5-dimethoxy-N-(3-methylbutyl)benzamide is COc1cc(OC)c(N)c(C(=O)NCCC(C)C)c1.
What is the InChIKey of 2-amino-3,5-dimethoxy-N-(3-methylbutyl)benzamide?
The InChIKey is KQSFLOJWBXCINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(2)5-6-16-14(17)11-7-10(18-3)8-12(19-4)13(11)15/h7-9H,5-6,15H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-3,5-dimethoxy-N-(3-methylbutyl)benzamide?
2-amino-3,5-dimethoxy-N-(3-methylbutyl)benzamide has a molecular weight of 266.34 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-dimethoxy-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 112606081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).