N-[4-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide

C37H54N2O2 — CID 19925532

IUPACN-[4-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide
SMILESCCCCCCCCCCCCCCOc1ccc(CN(C(C)=O)c2ccc(CC3(C)CN=CC=C3C)cc2)cc1
InChIInChI=1S/C37H54N2O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-27-41-36-23-19-34(20-24-36)29-39(32(3)40)35-21-17-33(18-22-35)28-37(4)30-38-26-25-31(37)2/h17-26H,5-16,27-30H2,1-4H3
InChIKeyDSPYHCWDBDQTHA-UHFFFAOYSA-N
MW558.85 g/mol
LogP9.90
Rot. Bonds19

About N-[4-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide

N-[4-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide (PubChem CID 19925532) has the molecular formula C37H54N2O2 and a molecular weight of 558.85 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide
PubChem CID19925532
Molecular FormulaC37H54N2O2
Molecular Weight558.85 g/mol
Exact Mass558.42
IUPAC NameN-[4-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide
SMILESCCCCCCCCCCCCCCOc1ccc(CN(C(C)=O)c2ccc(CC3(C)CN=CC=C3C)cc2)cc1
InChIInChI=1S/C37H54N2O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-27-41-36-23-19-34(20-24-36)29-39(32(3)40)35-21-17-33(18-22-35)28-37(4)30-38-26-25-31(37)2/h17-26H,5-16,27-30H2,1-4H3
InChIKeyDSPYHCWDBDQTHA-UHFFFAOYSA-N
XLogP9.90
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.85
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chloro-3-tetradecoxyphenyl)methyl]-N-[4-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]acetamide
CID 19923453
N-[(3-chloro-4-tetradecoxyphenyl)methyl]-N-[4-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]acetamide;hydrobromide
CID 173342471
N-[2-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide;hydrobromide
CID 173343295
N-[3-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-methoxy-3-tetradecoxyphenyl)methyl]acetamide;hydrobromide
CID 173343588
N-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-dodecoxyphenyl)methyl]acetamide
CID 19925357
N-[4-(pyridin-1-ium-3-ylmethyl)phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide bromide
CID 19925429
N-[(3-chloro-4-tetradecoxyphenyl)methyl]-N-[4-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]acetamide;hydrobromide
CID 173342891
N-[3-(bromomethyl)phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide
CID 10414650
N-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide
CID 19923483
[3-[(N-acetyl-4-tetradecoxyanilino)methyl]phenyl]methyl methanesulfonate
CID 10460092
N-[(3-chloro-4-tetradecoxyphenyl)methyl]-N-[4-[(3,5-dimethyl-2H-pyridin-1-ium-3-yl)methyl]phenyl]acetamide bromide
CID 19924362
N-[2-(4-hexadecoxyphenyl)ethyl]-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide
CID 57078016

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide?
The IUPAC name of N-[4-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide (CID 19925532) is N-[4-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide is CCCCCCCCCCCCCCOc1ccc(CN(C(C)=O)c2ccc(CC3(C)CN=CC=C3C)cc2)cc1.
What is the InChIKey of N-[4-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide?
The InChIKey is DSPYHCWDBDQTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H54N2O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-27-41-36-23-19-34(20-24-36)29-39(32(3)40)35-21-17-33(18-22-35)28-37(4)30-38-26-25-31(37)2/h17-26H,5-16,27-30H2,1-4H3.
What are the key properties of N-[4-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide?
N-[4-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide has a molecular weight of 558.85 g/mol, XLogP of 9.90, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide is sourced from PubChem (CID 19925532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).