N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide

C24H26N2O3 — CID 108541646

IUPACN-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide
SMILESCc1ccc(OCCCC(=O)NCCNC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C24H26N2O3/c1-18-11-13-20(14-12-18)29-17-5-10-23(27)25-15-16-26-24(28)22-9-4-7-19-6-2-3-8-21(19)22/h2-4,6-9,11-14H,5,10,15-17H2,1H3,(H,25,27)(H,26,28)
InChIKeySIMGQBNFVIYCSH-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.85
Rot. Bonds9

About N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide

N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide (PubChem CID 108541646) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide
PubChem CID108541646
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide
SMILESCc1ccc(OCCCC(=O)NCCNC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C24H26N2O3/c1-18-11-13-20(14-12-18)29-17-5-10-23(27)25-15-16-26-24(28)22-9-4-7-19-6-2-3-8-21(19)22/h2-4,6-9,11-14H,5,10,15-17H2,1H3,(H,25,27)(H,26,28)
InChIKeySIMGQBNFVIYCSH-UHFFFAOYSA-N
XLogP3.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide
CID 108541808
2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108541769
3-fluoro-N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]benzamide
CID 108541666
2-methoxy-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108538068
N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]pyridine-4-carboxamide
CID 108541662
3-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108541759
N-[2-(4-propylphenoxy)ethyl]naphthalene-1-carboxamide
CID 2297093
N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide
CID 106843542
4-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 19174762
N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]-4-propan-2-ylbenzamide
CID 108572898
butyl N-[2-(naphthalene-1-carbonylamino)ethyl]carbamate
CID 108573171
N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 19174784

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide (CID 108541646) is N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide is Cc1ccc(OCCCC(=O)NCCNC(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide?
The InChIKey is SIMGQBNFVIYCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-18-11-13-20(14-12-18)29-17-5-10-23(27)25-15-16-26-24(28)22-9-4-7-19-6-2-3-8-21(19)22/h2-4,6-9,11-14H,5,10,15-17H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide?
N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 108541646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).