N-[2-methyl-5-(tetradecanoylamino)phenyl]cyclopropanecarboxamide

C25H40N2O2 — CID 54791838

IUPACN-[2-methyl-5-(tetradecanoylamino)phenyl]cyclopropanecarboxamide
SMILESCCCCCCCCCCCCCC(=O)Nc1ccc(C)c(NC(=O)C2CC2)c1
InChIInChI=1S/C25H40N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-24(28)26-22-18-15-20(2)23(19-22)27-25(29)21-16-17-21/h15,18-19,21H,3-14,16-17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyCIWOSITXDOLDQH-UHFFFAOYSA-N
MW400.61 g/mol
LogP6.98
Rot. Bonds15

About N-[2-methyl-5-(tetradecanoylamino)phenyl]cyclopropanecarboxamide

N-[2-methyl-5-(tetradecanoylamino)phenyl]cyclopropanecarboxamide (PubChem CID 54791838) has the molecular formula C25H40N2O2 and a molecular weight of 400.61 g/mol. Its IUPAC name is N-[2-methyl-5-(tetradecanoylamino)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(tetradecanoylamino)phenyl]cyclopropanecarboxamide
PubChem CID54791838
Molecular FormulaC25H40N2O2
Molecular Weight400.61 g/mol
Exact Mass400.31
IUPAC NameN-[2-methyl-5-(tetradecanoylamino)phenyl]cyclopropanecarboxamide
SMILESCCCCCCCCCCCCCC(=O)Nc1ccc(C)c(NC(=O)C2CC2)c1
InChIInChI=1S/C25H40N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-24(28)26-22-18-15-20(2)23(19-22)27-25(29)21-16-17-21/h15,18-19,21H,3-14,16-17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyCIWOSITXDOLDQH-UHFFFAOYSA-N
XLogP6.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.61
LogP ≤ 56.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)dodecanamide
CID 4067786
4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 46467347
5-bromo-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide
CID 107908652
6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide
CID 43700728
N-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide
CID 39193331
N-[3-(hexanoylamino)phenyl]piperidine-4-carboxamide
CID 54794464
N-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide
CID 54845201
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
N-(4-hydroxy-3-methylphenyl)tetradecanamide
CID 91054297
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-(5-chloro-2-methylphenyl)decanamide
CID 5144260
7-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]heptanamide
CID 119780750

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(tetradecanoylamino)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-methyl-5-(tetradecanoylamino)phenyl]cyclopropanecarboxamide (CID 54791838) is N-[2-methyl-5-(tetradecanoylamino)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-methyl-5-(tetradecanoylamino)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-methyl-5-(tetradecanoylamino)phenyl]cyclopropanecarboxamide is CCCCCCCCCCCCCC(=O)Nc1ccc(C)c(NC(=O)C2CC2)c1.
What is the InChIKey of N-[2-methyl-5-(tetradecanoylamino)phenyl]cyclopropanecarboxamide?
The InChIKey is CIWOSITXDOLDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-24(28)26-22-18-15-20(2)23(19-22)27-25(29)21-16-17-21/h15,18-19,21H,3-14,16-17H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-methyl-5-(tetradecanoylamino)phenyl]cyclopropanecarboxamide?
N-[2-methyl-5-(tetradecanoylamino)phenyl]cyclopropanecarboxamide has a molecular weight of 400.61 g/mol, XLogP of 6.98, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(tetradecanoylamino)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 54791838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).