N-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-dodecoxyphenyl)methyl]acetamide

C35H50N2O2 — CID 19925357

IUPACN-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-dodecoxyphenyl)methyl]acetamide
SMILESCCCCCCCCCCCCOc1ccc(CN(C(C)=O)c2cccc(CC3(C)C=C(C)C=NC3)c2)cc1
InChIInChI=1S/C35H50N2O2/c1-5-6-7-8-9-10-11-12-13-14-22-39-34-20-18-31(19-21-34)27-37(30(3)38)33-17-15-16-32(23-33)25-35(4)24-29(2)26-36-28-35/h15-21,23-24,26H,5-14,22,25,27-28H2,1-4H3
InChIKeyWFBHOWSWQLZKII-UHFFFAOYSA-N
MW530.80 g/mol
LogP9.12
Rot. Bonds17

About N-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-dodecoxyphenyl)methyl]acetamide

N-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-dodecoxyphenyl)methyl]acetamide (PubChem CID 19925357) has the molecular formula C35H50N2O2 and a molecular weight of 530.80 g/mol. Its IUPAC name is N-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-dodecoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-dodecoxyphenyl)methyl]acetamide
PubChem CID19925357
Molecular FormulaC35H50N2O2
Molecular Weight530.80 g/mol
Exact Mass530.39
IUPAC NameN-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-dodecoxyphenyl)methyl]acetamide
SMILESCCCCCCCCCCCCOc1ccc(CN(C(C)=O)c2cccc(CC3(C)C=C(C)C=NC3)c2)cc1
InChIInChI=1S/C35H50N2O2/c1-5-6-7-8-9-10-11-12-13-14-22-39-34-20-18-31(19-21-34)27-37(30(3)38)33-17-15-16-32(23-33)25-35(4)24-29(2)26-36-28-35/h15-21,23-24,26H,5-14,22,25,27-28H2,1-4H3
InChIKeyWFBHOWSWQLZKII-UHFFFAOYSA-N
XLogP9.12
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.80
LogP ≤ 59.12
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-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide
CID 19923483
N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-N-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]acetamide;hydrobromide
CID 173343581
N-[3-(bromomethyl)phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide
CID 10414650
N-[(3-chloro-4-tetradecoxyphenyl)methyl]-N-[4-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]acetamide;hydrobromide
CID 173342891
N-[4-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide
CID 19925532
N-[3-[(5-methyl-1,3-thiazol-3-ium-2-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide bromide
CID 173349070
N-[3-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-methoxy-3-tetradecoxyphenyl)methyl]acetamide;hydrobromide
CID 173343588
N-[2-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide;hydrobromide
CID 173343295
[3-[(N-acetyl-4-tetradecoxyanilino)methyl]phenyl]methyl methanesulfonate
CID 10460092
N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide
CID 57136339
N-[4-(pyridin-1-ium-3-ylmethyl)phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide bromide
CID 19925429
N-[(3-tetradecoxyphenyl)methyl]-N-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide
CID 19925049

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-dodecoxyphenyl)methyl]acetamide?
The IUPAC name of N-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-dodecoxyphenyl)methyl]acetamide (CID 19925357) is N-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-dodecoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-dodecoxyphenyl)methyl]acetamide?
The canonical SMILES for N-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-dodecoxyphenyl)methyl]acetamide is CCCCCCCCCCCCOc1ccc(CN(C(C)=O)c2cccc(CC3(C)C=C(C)C=NC3)c2)cc1.
What is the InChIKey of N-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-dodecoxyphenyl)methyl]acetamide?
The InChIKey is WFBHOWSWQLZKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H50N2O2/c1-5-6-7-8-9-10-11-12-13-14-22-39-34-20-18-31(19-21-34)27-37(30(3)38)33-17-15-16-32(23-33)25-35(4)24-29(2)26-36-28-35/h15-21,23-24,26H,5-14,22,25,27-28H2,1-4H3.
What are the key properties of N-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-dodecoxyphenyl)methyl]acetamide?
N-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-dodecoxyphenyl)methyl]acetamide has a molecular weight of 530.80 g/mol, XLogP of 9.12, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-dodecoxyphenyl)methyl]acetamide is sourced from PubChem (CID 19925357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).