N-[(3-tetradecoxyphenyl)methyl]-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]propanamide

C34H50N2O2S — CID 57286208

IUPACN-[(3-tetradecoxyphenyl)methyl]-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]propanamide
SMILESCCCCCCCCCCCCCCOc1cccc(CN(C(=O)CC)c2ccc(CN3C=CSC3)cc2)c1
InChIInChI=1S/C34H50N2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-24-38-33-18-16-17-31(26-33)28-36(34(37)4-2)32-21-19-30(20-22-32)27-35-23-25-39-29-35/h16-23,25-26H,3-15,24,27-29H2,1-2H3
InChIKeyWHYUOUOYCRBTGJ-UHFFFAOYSA-N
MW550.85 g/mol
LogP9.69
Rot. Bonds20

About N-[(3-tetradecoxyphenyl)methyl]-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]propanamide

N-[(3-tetradecoxyphenyl)methyl]-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]propanamide (PubChem CID 57286208) has the molecular formula C34H50N2O2S and a molecular weight of 550.85 g/mol. Its IUPAC name is N-[(3-tetradecoxyphenyl)methyl]-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(3-tetradecoxyphenyl)methyl]-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]propanamide
PubChem CID57286208
Molecular FormulaC34H50N2O2S
Molecular Weight550.85 g/mol
Exact Mass550.36
IUPAC NameN-[(3-tetradecoxyphenyl)methyl]-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]propanamide
SMILESCCCCCCCCCCCCCCOc1cccc(CN(C(=O)CC)c2ccc(CN3C=CSC3)cc2)c1
InChIInChI=1S/C34H50N2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-24-38-33-18-16-17-31(26-33)28-36(34(37)4-2)32-21-19-30(20-22-32)27-35-23-25-39-29-35/h16-23,25-26H,3-15,24,27-29H2,1-2H3
InChIKeyWHYUOUOYCRBTGJ-UHFFFAOYSA-N
XLogP9.69
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.85
LogP ≤ 59.69
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-chloro-3-tetradecoxyphenyl)methyl]-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide
CID 57092804
N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide
CID 57136339
N-[(4-methoxy-3-tetradecoxyphenyl)methyl]-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide
CID 57013116
N-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-N-[(3-tetradecoxyphenyl)methyl]propanamide bromide
CID 19924563
1-[(3-methoxy-4-tetradecoxyphenyl)methyl]-3-methyl-1-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]urea
CID 57015535
1-[(4-methoxy-3-tetradecoxyphenyl)methyl]-3-methyl-1-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]urea
CID 56996986
N-(3-tetradecoxyphenyl)-3-(2H-1,3-thiazol-3-ylmethyl)benzamide;hydrobromide
CID 173343268
(7-dodecoxynaphthalen-2-yl) [3-(2H-1,3-thiazol-3-ylmethyl)phenyl] hydrogen phosphate
CID 57136777
2-(4-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide
CID 173343195
N-[2-(4-chloro-3-tetradecoxyphenyl)ethyl]-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide
CID 57095521
1-(2-chloro-4-tetradecoxyphenyl)-3-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]urea;hydrobromide
CID 173342549
N-[2-(4-chloro-3-tetradecoxyphenyl)ethyl]-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide
CID 173343023

Frequently Asked Questions

What is the IUPAC name of N-[(3-tetradecoxyphenyl)methyl]-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]propanamide?
The IUPAC name of N-[(3-tetradecoxyphenyl)methyl]-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]propanamide (CID 57286208) is N-[(3-tetradecoxyphenyl)methyl]-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]propanamide.
What is the SMILES notation for N-[(3-tetradecoxyphenyl)methyl]-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]propanamide?
The canonical SMILES for N-[(3-tetradecoxyphenyl)methyl]-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]propanamide is CCCCCCCCCCCCCCOc1cccc(CN(C(=O)CC)c2ccc(CN3C=CSC3)cc2)c1.
What is the InChIKey of N-[(3-tetradecoxyphenyl)methyl]-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]propanamide?
The InChIKey is WHYUOUOYCRBTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50N2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-24-38-33-18-16-17-31(26-33)28-36(34(37)4-2)32-21-19-30(20-22-32)27-35-23-25-39-29-35/h16-23,25-26H,3-15,24,27-29H2,1-2H3.
What are the key properties of N-[(3-tetradecoxyphenyl)methyl]-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]propanamide?
N-[(3-tetradecoxyphenyl)methyl]-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]propanamide has a molecular weight of 550.85 g/mol, XLogP of 9.69, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tetradecoxyphenyl)methyl]-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 57286208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).