2-ethyl-N-[4-[(2-methoxyphenyl)methylamino]phenyl]butanamide

C20H26N2O2 — CID 112982626

IUPAC2-ethyl-N-[4-[(2-methoxyphenyl)methylamino]phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(NCc2ccccc2OC)cc1
InChIInChI=1S/C20H26N2O2/c1-4-15(5-2)20(23)22-18-12-10-17(11-13-18)21-14-16-8-6-7-9-19(16)24-3/h6-13,15,21H,4-5,14H2,1-3H3,(H,22,23)
InChIKeyGDRFUQJFVHTOMX-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.68
Rot. Bonds8

About 2-ethyl-N-[4-[(2-methoxyphenyl)methylamino]phenyl]butanamide

2-ethyl-N-[4-[(2-methoxyphenyl)methylamino]phenyl]butanamide (PubChem CID 112982626) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-ethyl-N-[4-[(2-methoxyphenyl)methylamino]phenyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[4-[(2-methoxyphenyl)methylamino]phenyl]butanamide
PubChem CID112982626
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-ethyl-N-[4-[(2-methoxyphenyl)methylamino]phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(NCc2ccccc2OC)cc1
InChIInChI=1S/C20H26N2O2/c1-4-15(5-2)20(23)22-18-12-10-17(11-13-18)21-14-16-8-6-7-9-19(16)24-3/h6-13,15,21H,4-5,14H2,1-3H3,(H,22,23)
InChIKeyGDRFUQJFVHTOMX-UHFFFAOYSA-N
XLogP4.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]butanamide
CID 113012347
2-(2-methoxyphenoxy)-N-[4-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 112982660
2-(4-fluorophenyl)-N-[4-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 112982646
ethyl 4-[(2-methoxyphenyl)methylamino]benzoate
CID 2238269
N-[(2-methoxyphenyl)methyl]-4-propylaniline
CID 29045646
2,3,4-trifluoro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide
CID 112982662
3-chloro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide
CID 112982654
2-ethyl-N-[4-[(4-methylphenyl)methylamino]phenyl]butanamide
CID 112982147
N-[4-[(2-fluorophenyl)methylamino]phenyl]-2,6-dimethoxybenzamide
CID 112982382
ethyl N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]carbamate
CID 113027367
2-ethyl-N-[4-(3-methoxyanilino)phenyl]butanamide
CID 112987415
2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide
CID 1000871

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-[(2-methoxyphenyl)methylamino]phenyl]butanamide?
The IUPAC name of 2-ethyl-N-[4-[(2-methoxyphenyl)methylamino]phenyl]butanamide (CID 112982626) is 2-ethyl-N-[4-[(2-methoxyphenyl)methylamino]phenyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[4-[(2-methoxyphenyl)methylamino]phenyl]butanamide?
The canonical SMILES for 2-ethyl-N-[4-[(2-methoxyphenyl)methylamino]phenyl]butanamide is CCC(CC)C(=O)Nc1ccc(NCc2ccccc2OC)cc1.
What is the InChIKey of 2-ethyl-N-[4-[(2-methoxyphenyl)methylamino]phenyl]butanamide?
The InChIKey is GDRFUQJFVHTOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-4-15(5-2)20(23)22-18-12-10-17(11-13-18)21-14-16-8-6-7-9-19(16)24-3/h6-13,15,21H,4-5,14H2,1-3H3,(H,22,23).
What are the key properties of 2-ethyl-N-[4-[(2-methoxyphenyl)methylamino]phenyl]butanamide?
2-ethyl-N-[4-[(2-methoxyphenyl)methylamino]phenyl]butanamide has a molecular weight of 326.44 g/mol, XLogP of 4.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-[(2-methoxyphenyl)methylamino]phenyl]butanamide is sourced from PubChem (CID 112982626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).