N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide

C16H26N2O3 — CID 3340363

IUPACN-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
SMILESCCN(CC)CCCNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-5-18(6-2)11-7-10-17-16(19)13-8-9-14(20-3)15(12-13)21-4/h8-9,12H,5-7,10-11H2,1-4H3,(H,17,19)
InChIKeySYCAGQSZYMNTIQ-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.17
Rot. Bonds9

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

N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide (PubChem CID 3340363) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
PubChem CID3340363
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
SMILESCCN(CC)CCCNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-5-18(6-2)11-7-10-17-16(19)13-8-9-14(20-3)15(12-13)21-4/h8-9,12H,5-7,10-11H2,1-4H3,(H,17,19)
InChIKeySYCAGQSZYMNTIQ-UHFFFAOYSA-N
XLogP2.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide
CID 110441376
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
3-amino-N-[3-(diethylamino)propyl]-4-propoxybenzamide
CID 93216760
4-amino-N-[2-(diethylamino)ethyl]-3-methoxybenzamide
CID 58155168
N-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide
CID 103956220
N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide
CID 3301412
5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide
CID 4632919
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
4-ethoxy-N-[3-(N-ethylanilino)propyl]-3-methoxybenzamide
CID 41278240
3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107319012
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide (CID 3340363) is N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide is CCN(CC)CCCNC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide?
The InChIKey is SYCAGQSZYMNTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-18(6-2)11-7-10-17-16(19)13-8-9-14(20-3)15(12-13)21-4/h8-9,12H,5-7,10-11H2,1-4H3,(H,17,19).
What are the key properties of N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide?
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide has a molecular weight of 294.39 g/mol, XLogP of 2.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 3340363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).