N-(1-aminopentan-3-yl)-2,4-dimethoxybenzamide

C14H22N2O3 — CID 55101251

IUPACN-(1-aminopentan-3-yl)-2,4-dimethoxybenzamide
SMILESCCC(CCN)NC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C14H22N2O3/c1-4-10(7-8-15)16-14(17)12-6-5-11(18-2)9-13(12)19-3/h5-6,9-10H,4,7-8,15H2,1-3H3,(H,16,17)
InChIKeyZMGAZSSHFDDLNI-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.56
Rot. Bonds7

About N-(1-aminopentan-3-yl)-2,4-dimethoxybenzamide

N-(1-aminopentan-3-yl)-2,4-dimethoxybenzamide (PubChem CID 55101251) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(1-aminopentan-3-yl)-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1-aminopentan-3-yl)-2,4-dimethoxybenzamide
PubChem CID55101251
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(1-aminopentan-3-yl)-2,4-dimethoxybenzamide
SMILESCCC(CCN)NC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C14H22N2O3/c1-4-10(7-8-15)16-14(17)12-6-5-11(18-2)9-13(12)19-3/h5-6,9-10H,4,7-8,15H2,1-3H3,(H,16,17)
InChIKeyZMGAZSSHFDDLNI-UHFFFAOYSA-N
XLogP1.56
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminobutan-2-yl)-2,4-dimethoxybenzamide
CID 63755359
N-(1-aminopentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 62651239
N-(1-amino-1-sulfanylidenepentan-3-yl)-2,4-dimethoxybenzamide
CID 62652163
2-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43387212
N-(2-aminobutyl)-2,4-dimethoxybenzamide
CID 63731362
N-(1-aminobutan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 63754997
N-(1-bromopentan-3-yl)-2-hydroxy-4-methoxybenzamide
CID 113496406
2-fluoro-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide
CID 103604548
3-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43240643
2-[(2,4-dimethoxybenzoyl)amino]-4-methoxybutanoic acid
CID 62480344
N-(1-aminopentan-3-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 62651972
2-[[(2,4-dimethoxybenzoyl)amino]methyl]butanoic acid
CID 65218074

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-3-yl)-2,4-dimethoxybenzamide?
The IUPAC name of N-(1-aminopentan-3-yl)-2,4-dimethoxybenzamide (CID 55101251) is N-(1-aminopentan-3-yl)-2,4-dimethoxybenzamide.
What is the SMILES notation for N-(1-aminopentan-3-yl)-2,4-dimethoxybenzamide?
The canonical SMILES for N-(1-aminopentan-3-yl)-2,4-dimethoxybenzamide is CCC(CCN)NC(=O)c1ccc(OC)cc1OC.
What is the InChIKey of N-(1-aminopentan-3-yl)-2,4-dimethoxybenzamide?
The InChIKey is ZMGAZSSHFDDLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-10(7-8-15)16-14(17)12-6-5-11(18-2)9-13(12)19-3/h5-6,9-10H,4,7-8,15H2,1-3H3,(H,16,17).
What are the key properties of N-(1-aminopentan-3-yl)-2,4-dimethoxybenzamide?
N-(1-aminopentan-3-yl)-2,4-dimethoxybenzamide has a molecular weight of 266.34 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-3-yl)-2,4-dimethoxybenzamide is sourced from PubChem (CID 55101251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).