N-[(4-propan-2-yloxyphenyl)methyl]tetradecanamide

C24H41NO2 — CID 54792167

IUPACN-[(4-propan-2-yloxyphenyl)methyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C24H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-24(26)25-20-22-16-18-23(19-17-22)27-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,25,26)
InChIKeyOPARKDYGZQKBHZ-UHFFFAOYSA-N
MW375.60 g/mol
LogP6.79
Rot. Bonds16

About N-[(4-propan-2-yloxyphenyl)methyl]tetradecanamide

N-[(4-propan-2-yloxyphenyl)methyl]tetradecanamide (PubChem CID 54792167) has the molecular formula C24H41NO2 and a molecular weight of 375.60 g/mol. Its IUPAC name is N-[(4-propan-2-yloxyphenyl)methyl]tetradecanamide.

Molecular Properties

Compound NameN-[(4-propan-2-yloxyphenyl)methyl]tetradecanamide
PubChem CID54792167
Molecular FormulaC24H41NO2
Molecular Weight375.60 g/mol
Exact Mass375.31
IUPAC NameN-[(4-propan-2-yloxyphenyl)methyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C24H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-24(26)25-20-22-16-18-23(19-17-22)27-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,25,26)
InChIKeyOPARKDYGZQKBHZ-UHFFFAOYSA-N
XLogP6.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
CID 43911135
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
N-[(4-propan-2-yloxyphenyl)methyl]-3-sulfanylpropanamide
CID 115167853
2-(butylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54815317
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
2-(4-butoxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54820264
N-[(4-bromophenyl)methyl]octanamide
CID 60582799
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
N-[[4-(aminomethyl)phenyl]methyl]heptanamide
CID 114751908
N-[[4-(chloromethyl)phenyl]methyl]heptanamide
CID 107233492
3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 52573357

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-yloxyphenyl)methyl]tetradecanamide?
The IUPAC name of N-[(4-propan-2-yloxyphenyl)methyl]tetradecanamide (CID 54792167) is N-[(4-propan-2-yloxyphenyl)methyl]tetradecanamide.
What is the SMILES notation for N-[(4-propan-2-yloxyphenyl)methyl]tetradecanamide?
The canonical SMILES for N-[(4-propan-2-yloxyphenyl)methyl]tetradecanamide is CCCCCCCCCCCCCC(=O)NCc1ccc(OC(C)C)cc1.
What is the InChIKey of N-[(4-propan-2-yloxyphenyl)methyl]tetradecanamide?
The InChIKey is OPARKDYGZQKBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-24(26)25-20-22-16-18-23(19-17-22)27-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,25,26).
What are the key properties of N-[(4-propan-2-yloxyphenyl)methyl]tetradecanamide?
N-[(4-propan-2-yloxyphenyl)methyl]tetradecanamide has a molecular weight of 375.60 g/mol, XLogP of 6.79, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-yloxyphenyl)methyl]tetradecanamide is sourced from PubChem (CID 54792167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).