N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)tetradecanamide

C35H54N2O3 — CID 42701804

IUPACN-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N(CCN1CCCC1)Cc1ccc(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C35H54N2O3/c1-3-4-5-6-7-8-9-10-11-12-16-21-35(38)37(27-26-36-24-17-18-25-36)29-32-22-23-33(39-2)34(28-32)40-30-31-19-14-13-15-20-31/h13-15,19-20,22-23,28H,3-12,16-18,21,24-27,29-30H2,1-2H3
InChIKeyWMDNCDKJVPGSOS-UHFFFAOYSA-N
MW550.83 g/mol
LogP8.40
Rot. Bonds21

About N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)tetradecanamide

N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)tetradecanamide (PubChem CID 42701804) has the molecular formula C35H54N2O3 and a molecular weight of 550.83 g/mol. Its IUPAC name is N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)tetradecanamide.

Molecular Properties

Compound NameN-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)tetradecanamide
PubChem CID42701804
Molecular FormulaC35H54N2O3
Molecular Weight550.83 g/mol
Exact Mass550.41
IUPAC NameN-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N(CCN1CCCC1)Cc1ccc(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C35H54N2O3/c1-3-4-5-6-7-8-9-10-11-12-16-21-35(38)37(27-26-36-24-17-18-25-36)29-32-22-23-33(39-2)34(28-32)40-30-31-19-14-13-15-20-31/h13-15,19-20,22-23,28H,3-12,16-18,21,24-27,29-30H2,1-2H3
InChIKeyWMDNCDKJVPGSOS-UHFFFAOYSA-N
XLogP8.40
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.83
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)hexanamide
CID 42701783
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)pentanamide
CID 42701779
3-(4-ethoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)urea
CID 3346808
N-(1-benzylpiperidin-4-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]decanamide
CID 4235665
N-(1-benzylpiperidin-4-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]decanamide
CID 142128614
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 42701785
[5-[[decanoyl(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] methanesulfonate
CID 5002481
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine;oxalic acid
CID 23724207
benzyl N-heptyl-N-[2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]carbamate
CID 70962858
N-[3-[benzyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]tetradecanamide
CID 42702423
(2R)-2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)hexanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)pentanamide
CID 159805711
3-(2,6-dimethylphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 42708434

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)tetradecanamide?
The IUPAC name of N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)tetradecanamide (CID 42701804) is N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)tetradecanamide.
What is the SMILES notation for N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)tetradecanamide?
The canonical SMILES for N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)tetradecanamide is CCCCCCCCCCCCCC(=O)N(CCN1CCCC1)Cc1ccc(OC)c(OCc2ccccc2)c1.
What is the InChIKey of N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)tetradecanamide?
The InChIKey is WMDNCDKJVPGSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H54N2O3/c1-3-4-5-6-7-8-9-10-11-12-16-21-35(38)37(27-26-36-24-17-18-25-36)29-32-22-23-33(39-2)34(28-32)40-30-31-19-14-13-15-20-31/h13-15,19-20,22-23,28H,3-12,16-18,21,24-27,29-30H2,1-2H3.
What are the key properties of N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)tetradecanamide?
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)tetradecanamide has a molecular weight of 550.83 g/mol, XLogP of 8.40, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)tetradecanamide is sourced from PubChem (CID 42701804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).