N-[2-(4-methylanilino)phenyl]-4-naphthalen-2-yloxybutanamide

C27H26N2O2 — CID 108767376

IUPACN-[2-(4-methylanilino)phenyl]-4-naphthalen-2-yloxybutanamide
SMILESCc1ccc(Nc2ccccc2NC(=O)CCCOc2ccc3ccccc3c2)cc1
InChIInChI=1S/C27H26N2O2/c1-20-12-15-23(16-13-20)28-25-9-4-5-10-26(25)29-27(30)11-6-18-31-24-17-14-21-7-2-3-8-22(21)19-24/h2-5,7-10,12-17,19,28H,6,11,18H2,1H3,(H,29,30)
InChIKeyCSLJMIWKYHYMFT-UHFFFAOYSA-N
MW410.52 g/mol
LogP6.69
Rot. Bonds8

About N-[2-(4-methylanilino)phenyl]-4-naphthalen-2-yloxybutanamide

N-[2-(4-methylanilino)phenyl]-4-naphthalen-2-yloxybutanamide (PubChem CID 108767376) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[2-(4-methylanilino)phenyl]-4-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound NameN-[2-(4-methylanilino)phenyl]-4-naphthalen-2-yloxybutanamide
PubChem CID108767376
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC NameN-[2-(4-methylanilino)phenyl]-4-naphthalen-2-yloxybutanamide
SMILESCc1ccc(Nc2ccccc2NC(=O)CCCOc2ccc3ccccc3c2)cc1
InChIInChI=1S/C27H26N2O2/c1-20-12-15-23(16-13-20)28-25-9-4-5-10-26(25)29-27(30)11-6-18-31-24-17-14-21-7-2-3-8-22(21)19-24/h2-5,7-10,12-17,19,28H,6,11,18H2,1H3,(H,29,30)
InChIKeyCSLJMIWKYHYMFT-UHFFFAOYSA-N
XLogP6.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 56.69
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

2-(3,4-dimethylphenoxy)-N-[2-(4-methylanilino)phenyl]acetamide
CID 108767360
N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide
CID 18071037
N-[2-(4-methylanilino)phenyl]-5-oxo-5-phenylpentanamide
CID 108745056
N-[2-(4-methylanilino)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 108745039
3-hydroxy-4-(4-naphthalen-2-yloxybutanoylamino)benzoic acid
CID 108766557
4-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 19173643
2-[4-(4-methylphenoxy)butanoylamino]-N-propan-2-ylbenzamide
CID 21173388
butyl N-[2-(4-methylanilino)phenyl]carbamate
CID 108745026
N-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide
CID 7695554
N,N-diethyl-2-[4-(4-methylphenoxy)butanoylamino]benzamide
CID 21368478
4-naphthalen-2-yloxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108751489
N-(2-aminophenyl)-4-(3,4-dimethylphenoxy)butanamide;hydrochloride
CID 119422856

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylanilino)phenyl]-4-naphthalen-2-yloxybutanamide?
The IUPAC name of N-[2-(4-methylanilino)phenyl]-4-naphthalen-2-yloxybutanamide (CID 108767376) is N-[2-(4-methylanilino)phenyl]-4-naphthalen-2-yloxybutanamide.
What is the SMILES notation for N-[2-(4-methylanilino)phenyl]-4-naphthalen-2-yloxybutanamide?
The canonical SMILES for N-[2-(4-methylanilino)phenyl]-4-naphthalen-2-yloxybutanamide is Cc1ccc(Nc2ccccc2NC(=O)CCCOc2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[2-(4-methylanilino)phenyl]-4-naphthalen-2-yloxybutanamide?
The InChIKey is CSLJMIWKYHYMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-20-12-15-23(16-13-20)28-25-9-4-5-10-26(25)29-27(30)11-6-18-31-24-17-14-21-7-2-3-8-22(21)19-24/h2-5,7-10,12-17,19,28H,6,11,18H2,1H3,(H,29,30).
What are the key properties of N-[2-(4-methylanilino)phenyl]-4-naphthalen-2-yloxybutanamide?
N-[2-(4-methylanilino)phenyl]-4-naphthalen-2-yloxybutanamide has a molecular weight of 410.52 g/mol, XLogP of 6.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylanilino)phenyl]-4-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 108767376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).