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

C38H56N2O2 — CID 19923483

IUPACN-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide
SMILESCCCCCCCCCCCCCCOc1ccc(CN(C(=O)CC)c2cccc(CC3(C)C=C(C)C=NC3)c2)cc1
InChIInChI=1S/C38H56N2O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-25-42-36-23-21-33(22-24-36)30-40(37(41)6-2)35-20-18-19-34(26-35)28-38(4)27-32(3)29-39-31-38/h18-24,26-27,29H,5-17,25,28,30-31H2,1-4H3
InChIKeyOXAFAVVWUCXRTD-UHFFFAOYSA-N
MW572.88 g/mol
LogP10.29
Rot. Bonds20

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

N-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide (PubChem CID 19923483) has the molecular formula C38H56N2O2 and a molecular weight of 572.88 g/mol. Its IUPAC name is N-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide
PubChem CID19923483
Molecular FormulaC38H56N2O2
Molecular Weight572.88 g/mol
Exact Mass572.43
IUPAC NameN-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide
SMILESCCCCCCCCCCCCCCOc1ccc(CN(C(=O)CC)c2cccc(CC3(C)C=C(C)C=NC3)c2)cc1
InChIInChI=1S/C38H56N2O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-25-42-36-23-21-33(22-24-36)30-40(37(41)6-2)35-20-18-19-34(26-35)28-38(4)27-32(3)29-39-31-38/h18-24,26-27,29H,5-17,25,28,30-31H2,1-4H3
InChIKeyOXAFAVVWUCXRTD-UHFFFAOYSA-N
XLogP10.29
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.88
LogP ≤ 510.29
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-dodecoxyphenyl)methyl]acetamide
CID 19925357
N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-N-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]acetamide;hydrobromide
CID 173343581
N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide
CID 57136339
N-[(4-tetradecoxyphenyl)methyl]-N-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]propanamide
CID 19923082
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-[4-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide
CID 19925532
N-[3-(2H-imidazo[1,5-a]pyridin-4-ium-3-ylmethyl)phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide bromide
CID 67805992
N-[3-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-methoxy-3-tetradecoxyphenyl)methyl]acetamide;hydrobromide
CID 173343588
N-[3-[(5-methyl-1,3-thiazol-3-ium-2-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide bromide
CID 173349070
N-[2-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide;hydrobromide
CID 173343295
N-[(3-tetradecoxyphenyl)methyl]-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]propanamide
CID 57286208

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide?
The IUPAC name of N-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide (CID 19923483) is N-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide.
What is the SMILES notation for N-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide?
The canonical SMILES for N-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide is CCCCCCCCCCCCCCOc1ccc(CN(C(=O)CC)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-tetradecoxyphenyl)methyl]propanamide?
The InChIKey is OXAFAVVWUCXRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H56N2O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-25-42-36-23-21-33(22-24-36)30-40(37(41)6-2)35-20-18-19-34(26-35)28-38(4)27-32(3)29-39-31-38/h18-24,26-27,29H,5-17,25,28,30-31H2,1-4H3.
What are the key properties of N-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide?
N-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide has a molecular weight of 572.88 g/mol, XLogP of 10.29, 20 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-tetradecoxyphenyl)methyl]propanamide is sourced from PubChem (CID 19923483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).