N-(2-amino-4,4-dimethylpentyl)-2,4-dimethoxybenzamide

C16H26N2O3 — CID 107158363

IUPACN-(2-amino-4,4-dimethylpentyl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(N)CC(C)(C)C)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-16(2,3)9-11(17)10-18-15(19)13-7-6-12(20-4)8-14(13)21-5/h6-8,11H,9-10,17H2,1-5H3,(H,18,19)
InChIKeyHHRPOVJEHSZDPG-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.20
Rot. Bonds6

About N-(2-amino-4,4-dimethylpentyl)-2,4-dimethoxybenzamide

N-(2-amino-4,4-dimethylpentyl)-2,4-dimethoxybenzamide (PubChem CID 107158363) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(2-amino-4,4-dimethylpentyl)-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-4,4-dimethylpentyl)-2,4-dimethoxybenzamide
PubChem CID107158363
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-(2-amino-4,4-dimethylpentyl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(N)CC(C)(C)C)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-16(2,3)9-11(17)10-18-15(19)13-7-6-12(20-4)8-14(13)21-5/h6-8,11H,9-10,17H2,1-5H3,(H,18,19)
InChIKeyHHRPOVJEHSZDPG-UHFFFAOYSA-N
XLogP2.20
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminobutyl)-2,4-dimethoxybenzamide
CID 63731362
methyl 3-[(2,4-dimethoxybenzoyl)amino]-2-iodopropanoate
CID 103493347
2-[[(2,4-dimethoxybenzoyl)amino]methyl]butanoic acid
CID 65218074
N-(2-amino-4-methylpentyl)-2,5-dimethoxybenzamide
CID 107158831
N-(2-amino-4,4-dimethylpentyl)-2-hydroxy-4-methylbenzamide
CID 107158602
N-(2-hydroxy-2-methylbutyl)-2,4-dimethoxybenzamide
CID 65114811
N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
N-(2-aminopropyl)-2,5-dimethoxybenzamide
CID 63731879
N-(2-aminobutyl)-2-fluoro-4-methoxybenzamide
CID 102884002
N-(4-hydroxy-2,2-dimethylbutyl)-2,4-dimethoxybenzamide
CID 103772268

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,4-dimethylpentyl)-2,4-dimethoxybenzamide?
The IUPAC name of N-(2-amino-4,4-dimethylpentyl)-2,4-dimethoxybenzamide (CID 107158363) is N-(2-amino-4,4-dimethylpentyl)-2,4-dimethoxybenzamide.
What is the SMILES notation for N-(2-amino-4,4-dimethylpentyl)-2,4-dimethoxybenzamide?
The canonical SMILES for N-(2-amino-4,4-dimethylpentyl)-2,4-dimethoxybenzamide is COc1ccc(C(=O)NCC(N)CC(C)(C)C)c(OC)c1.
What is the InChIKey of N-(2-amino-4,4-dimethylpentyl)-2,4-dimethoxybenzamide?
The InChIKey is HHRPOVJEHSZDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-16(2,3)9-11(17)10-18-15(19)13-7-6-12(20-4)8-14(13)21-5/h6-8,11H,9-10,17H2,1-5H3,(H,18,19).
What are the key properties of N-(2-amino-4,4-dimethylpentyl)-2,4-dimethoxybenzamide?
N-(2-amino-4,4-dimethylpentyl)-2,4-dimethoxybenzamide has a molecular weight of 294.40 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,4-dimethylpentyl)-2,4-dimethoxybenzamide is sourced from PubChem (CID 107158363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).