N-(4-aminopentyl)-3,4-dimethoxybenzamide

C14H22N2O3 — CID 106122930

IUPACN-(4-aminopentyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCCC(C)N)cc1OC
InChIInChI=1S/C14H22N2O3/c1-10(15)5-4-8-16-14(17)11-6-7-12(18-2)13(9-11)19-3/h6-7,9-10H,4-5,8,15H2,1-3H3,(H,16,17)
InChIKeyPOPGLNXJUPFIPV-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.56
Rot. Bonds7

About N-(4-aminopentyl)-3,4-dimethoxybenzamide

N-(4-aminopentyl)-3,4-dimethoxybenzamide (PubChem CID 106122930) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(4-aminopentyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-aminopentyl)-3,4-dimethoxybenzamide
PubChem CID106122930
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(4-aminopentyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCCC(C)N)cc1OC
InChIInChI=1S/C14H22N2O3/c1-10(15)5-4-8-16-14(17)11-6-7-12(18-2)13(9-11)19-3/h6-7,9-10H,4-5,8,15H2,1-3H3,(H,16,17)
InChIKeyPOPGLNXJUPFIPV-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

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminobutyl)-3,4-dimethoxybenzamide
CID 63253883
N-(4-aminopentyl)-3-hydroxy-4-methoxybenzamide
CID 106122205
N-(4-chloropentyl)-3,4-dimethoxybenzamide
CID 106129860
4-ethoxy-N-(5-hydroxy-4-methylpentyl)-3-methoxybenzamide
CID 103861912
4-amino-3-methoxy-N-(4-methylpentyl)benzamide
CID 104782675
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
N-(4-aminopentyl)quinoxaline-6-carboxamide
CID 106122838
N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
CID 92931840
N-(4-aminopentyl)naphthalene-2-carboxamide
CID 106122722
N-hex-5-ynyl-3,4-dimethoxybenzamide
CID 113256083
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363

Frequently Asked Questions

What is the IUPAC name of N-(4-aminopentyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(4-aminopentyl)-3,4-dimethoxybenzamide (CID 106122930) is N-(4-aminopentyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(4-aminopentyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(4-aminopentyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCCCC(C)N)cc1OC.
What is the InChIKey of N-(4-aminopentyl)-3,4-dimethoxybenzamide?
The InChIKey is POPGLNXJUPFIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(15)5-4-8-16-14(17)11-6-7-12(18-2)13(9-11)19-3/h6-7,9-10H,4-5,8,15H2,1-3H3,(H,16,17).
What are the key properties of N-(4-aminopentyl)-3,4-dimethoxybenzamide?
N-(4-aminopentyl)-3,4-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-(4-aminopentyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 106122930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).