N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide

C18H30N2O3 — CID 110441376

IUPACN-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide
SMILESCCN(CC)CCCCCNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H30N2O3/c1-5-20(6-2)13-9-7-8-12-19-18(21)15-10-11-16(22-3)17(14-15)23-4/h10-11,14H,5-9,12-13H2,1-4H3,(H,19,21)
InChIKeyUVSHPRDXVGWJGZ-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.95
Rot. Bonds11

About N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide

N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide (PubChem CID 110441376) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide
PubChem CID110441376
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC NameN-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide
SMILESCCN(CC)CCCCCNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H30N2O3/c1-5-20(6-2)13-9-7-8-12-19-18(21)15-10-11-16(22-3)17(14-15)23-4/h10-11,14H,5-9,12-13H2,1-4H3,(H,19,21)
InChIKeyUVSHPRDXVGWJGZ-UHFFFAOYSA-N
XLogP2.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
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-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
N-[5-(diethylamino)pentyl]-4-methylbenzamide
CID 110440389
3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107319012
4-amino-N-[2-(diethylamino)ethyl]-3-methoxybenzamide
CID 58155168
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
N-[5-(diethylamino)pentyl]-3-methoxythiophene-2-carboxamide
CID 110445941
N-[4-(diethylamino)butyl]-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 110437749
4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide
CID 110486010
N-hex-5-ynyl-3,4-dimethoxybenzamide
CID 113256083
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
3-amino-N-[3-(diethylamino)propyl]-4-propoxybenzamide
CID 93216760

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide (CID 110441376) is N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide is CCN(CC)CCCCCNC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide?
The InChIKey is UVSHPRDXVGWJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-5-20(6-2)13-9-7-8-12-19-18(21)15-10-11-16(22-3)17(14-15)23-4/h10-11,14H,5-9,12-13H2,1-4H3,(H,19,21).
What are the key properties of N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide?
N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide has a molecular weight of 322.45 g/mol, XLogP of 2.95, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 110441376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).