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

C24H26N2O3 — CID 108541808

IUPACN-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide
SMILESCc1ccccc1OCCCC(=O)NCCNC(=O)c1cccc2ccccc12
InChIInChI=1S/C24H26N2O3/c1-18-8-2-5-13-22(18)29-17-7-14-23(27)25-15-16-26-24(28)21-12-6-10-19-9-3-4-11-20(19)21/h2-6,8-13H,7,14-17H2,1H3,(H,25,27)(H,26,28)
InChIKeyFAYQSFLKPLEBFD-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.85
Rot. Bonds9

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

N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide (PubChem CID 108541808) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide
PubChem CID108541808
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide
SMILESCc1ccccc1OCCCC(=O)NCCNC(=O)c1cccc2ccccc12
InChIInChI=1S/C24H26N2O3/c1-18-8-2-5-13-22(18)29-17-7-14-23(27)25-15-16-26-24(28)21-12-6-10-19-9-3-4-11-20(19)21/h2-6,8-13H,7,14-17H2,1H3,(H,25,27)(H,26,28)
InChIKeyFAYQSFLKPLEBFD-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-(4-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide
CID 108541646
2,5-dichloro-N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]benzamide
CID 108541813
N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide
CID 127115832
4-bromo-N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]benzamide
CID 108539361
2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108541769
4-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 19174762
4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride
CID 119772252
2-methoxy-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108538068
(2S)-2-hydroxy-4-[4-(2-methylphenoxy)butanoylamino]butanoic acid
CID 107834348
4-(2-methylphenoxy)-1-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 108547065
N-(3-amino-3-oxopropyl)-2-(4-naphthalen-1-yloxybutanoylamino)benzamide
CID 56573333
N-[3-[4-(2-methylphenoxy)butanoylamino]propyl]pyridine-3-carboxamide
CID 108926624

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide (CID 108541808) is N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide is Cc1ccccc1OCCCC(=O)NCCNC(=O)c1cccc2ccccc12.
What is the InChIKey of N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide?
The InChIKey is FAYQSFLKPLEBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-18-8-2-5-13-22(18)29-17-7-14-23(27)25-15-16-26-24(28)21-12-6-10-19-9-3-4-11-20(19)21/h2-6,8-13H,7,14-17H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide?
N-[2-[4-(2-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-(2-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 108541808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).