2-amino-N-(4-hydroxy-2-methylbutyl)-3,5-dimethoxybenzamide

C14H22N2O4 — CID 115950742

IUPAC2-amino-N-(4-hydroxy-2-methylbutyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)c(N)c(C(=O)NCC(C)CCO)c1
InChIInChI=1S/C14H22N2O4/c1-9(4-5-17)8-16-14(18)11-6-10(19-2)7-12(20-3)13(11)15/h6-7,9,17H,4-5,8,15H2,1-3H3,(H,16,18)
InChIKeyKOEKNDZMEIVLIG-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.03
Rot. Bonds7

About 2-amino-N-(4-hydroxy-2-methylbutyl)-3,5-dimethoxybenzamide

2-amino-N-(4-hydroxy-2-methylbutyl)-3,5-dimethoxybenzamide (PubChem CID 115950742) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-amino-N-(4-hydroxy-2-methylbutyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(4-hydroxy-2-methylbutyl)-3,5-dimethoxybenzamide
PubChem CID115950742
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-amino-N-(4-hydroxy-2-methylbutyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)c(N)c(C(=O)NCC(C)CCO)c1
InChIInChI=1S/C14H22N2O4/c1-9(4-5-17)8-16-14(18)11-6-10(19-2)7-12(20-3)13(11)15/h6-7,9,17H,4-5,8,15H2,1-3H3,(H,16,18)
InChIKeyKOEKNDZMEIVLIG-UHFFFAOYSA-N
XLogP1.03
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 112606081
2-amino-N-(5-hydroxypentan-2-yl)-3,5-dimethoxybenzamide
CID 115950760
2-amino-N-ethyl-3,5-dimethoxybenzamide
CID 112606069
2-amino-N-(2-fluoroethyl)-3,5-dimethoxybenzamide
CID 114266909
2-amino-3,5-dimethoxy-N-(2-methylpentan-3-yl)benzamide
CID 115950603
2-amino-N-butyl-3,5-dimethoxybenzamide
CID 112606080
5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide
CID 66109284
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
N-(2-aminopropyl)-2,5-dimethoxybenzamide
CID 63731879
2-amino-3,5-dimethoxy-N-(4,4,4-trifluorobutyl)benzamide
CID 115950778
4-[(2,5-dimethoxybenzoyl)amino]-3-methylbutanoic acid
CID 81063117

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-hydroxy-2-methylbutyl)-3,5-dimethoxybenzamide?
The IUPAC name of 2-amino-N-(4-hydroxy-2-methylbutyl)-3,5-dimethoxybenzamide (CID 115950742) is 2-amino-N-(4-hydroxy-2-methylbutyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for 2-amino-N-(4-hydroxy-2-methylbutyl)-3,5-dimethoxybenzamide?
The canonical SMILES for 2-amino-N-(4-hydroxy-2-methylbutyl)-3,5-dimethoxybenzamide is COc1cc(OC)c(N)c(C(=O)NCC(C)CCO)c1.
What is the InChIKey of 2-amino-N-(4-hydroxy-2-methylbutyl)-3,5-dimethoxybenzamide?
The InChIKey is KOEKNDZMEIVLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-9(4-5-17)8-16-14(18)11-6-10(19-2)7-12(20-3)13(11)15/h6-7,9,17H,4-5,8,15H2,1-3H3,(H,16,18).
What are the key properties of 2-amino-N-(4-hydroxy-2-methylbutyl)-3,5-dimethoxybenzamide?
2-amino-N-(4-hydroxy-2-methylbutyl)-3,5-dimethoxybenzamide has a molecular weight of 282.34 g/mol, XLogP of 1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-hydroxy-2-methylbutyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 115950742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).