N-[3-[benzyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]tetradecanamide

C34H52N2O4 — CID 42702423

IUPACN-[3-[benzyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCCC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccccc1
InChIInChI=1S/C34H52N2O4/c1-4-5-6-7-8-9-10-11-12-13-17-20-33(37)35-25-23-34(38)36(28-30-18-15-14-16-19-30)26-24-29-21-22-31(39-2)32(27-29)40-3/h14-16,18-19,21-22,27H,4-13,17,20,23-26,28H2,1-3H3,(H,35,37)
InChIKeyRVZJZBQLXCRUON-UHFFFAOYSA-N
MW552.80 g/mol
LogP7.48
Rot. Bonds22

About N-[3-[benzyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]tetradecanamide

N-[3-[benzyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]tetradecanamide (PubChem CID 42702423) has the molecular formula C34H52N2O4 and a molecular weight of 552.80 g/mol. Its IUPAC name is N-[3-[benzyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]tetradecanamide.

Molecular Properties

Compound NameN-[3-[benzyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]tetradecanamide
PubChem CID42702423
Molecular FormulaC34H52N2O4
Molecular Weight552.80 g/mol
Exact Mass552.39
IUPAC NameN-[3-[benzyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCCC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccccc1
InChIInChI=1S/C34H52N2O4/c1-4-5-6-7-8-9-10-11-12-13-17-20-33(37)35-25-23-34(38)36(28-30-18-15-14-16-19-30)26-24-29-21-22-31(39-2)32(27-29)40-3/h14-16,18-19,21-22,27H,4-13,17,20,23-26,28H2,1-3H3,(H,35,37)
InChIKeyRVZJZBQLXCRUON-UHFFFAOYSA-N
XLogP7.48
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.80
LogP ≤ 57.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[benzyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]tetradecanamide 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-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 5073739
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]nonanamide
CID 4235664
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide
CID 4694083
3-(3,4-dimethoxyphenyl)-N-hexylpropanamide
CID 19220639
N-butyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]butanamide
CID 132718142
2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-benzyl-N-ethylacetamide
CID 113165331
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-ethylacetamide
CID 108998963
N-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1-phenyltetrazol-5-yl)butanamide
CID 21295539
N-[3-[benzyl(methyl)amino]propyl]octanamide
CID 173154177
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide
CID 20969090

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]tetradecanamide?
The IUPAC name of N-[3-[benzyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]tetradecanamide (CID 42702423) is N-[3-[benzyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]tetradecanamide.
What is the SMILES notation for N-[3-[benzyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]tetradecanamide?
The canonical SMILES for N-[3-[benzyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]tetradecanamide is CCCCCCCCCCCCCC(=O)NCCC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]tetradecanamide?
The InChIKey is RVZJZBQLXCRUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H52N2O4/c1-4-5-6-7-8-9-10-11-12-13-17-20-33(37)35-25-23-34(38)36(28-30-18-15-14-16-19-30)26-24-29-21-22-31(39-2)32(27-29)40-3/h14-16,18-19,21-22,27H,4-13,17,20,23-26,28H2,1-3H3,(H,35,37).
What are the key properties of N-[3-[benzyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]tetradecanamide?
N-[3-[benzyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]tetradecanamide has a molecular weight of 552.80 g/mol, XLogP of 7.48, 22 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]tetradecanamide is sourced from PubChem (CID 42702423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).