N-[[4-(N-ethylanilino)phenyl]methyl]-4-(methylamino)butanamide

C20H27N3O — CID 119805510

IUPACN-[[4-(N-ethylanilino)phenyl]methyl]-4-(methylamino)butanamide
SMILESCCN(c1ccccc1)c1ccc(CNC(=O)CCCNC)cc1
InChIInChI=1S/C20H27N3O/c1-3-23(18-8-5-4-6-9-18)19-13-11-17(12-14-19)16-22-20(24)10-7-15-21-2/h4-6,8-9,11-14,21H,3,7,10,15-16H2,1-2H3,(H,22,24)
InChIKeyGEZCPEMRDXJILZ-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.46
Rot. Bonds9

About N-[[4-(N-ethylanilino)phenyl]methyl]-4-(methylamino)butanamide

N-[[4-(N-ethylanilino)phenyl]methyl]-4-(methylamino)butanamide (PubChem CID 119805510) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[[4-(N-ethylanilino)phenyl]methyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[[4-(N-ethylanilino)phenyl]methyl]-4-(methylamino)butanamide
PubChem CID119805510
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-[[4-(N-ethylanilino)phenyl]methyl]-4-(methylamino)butanamide
SMILESCCN(c1ccccc1)c1ccc(CNC(=O)CCCNC)cc1
InChIInChI=1S/C20H27N3O/c1-3-23(18-8-5-4-6-9-18)19-13-11-17(12-14-19)16-22-20(24)10-7-15-21-2/h4-6,8-9,11-14,21H,3,7,10,15-16H2,1-2H3,(H,22,24)
InChIKeyGEZCPEMRDXJILZ-UHFFFAOYSA-N
XLogP3.46
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.46
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-[[4-(N-ethylanilino)phenyl]methyl]-2-(methylamino)acetamide
CID 119805514
N-[[4-(dimethylamino)phenyl]methyl]-4-(methylamino)butanamide
CID 61248604
3-[[4-(N-ethylanilino)phenyl]methylcarbamoylamino]propanoic acid
CID 122003904
N,N-diethyl-4-[[4-(methylamino)butanoylamino]methyl]benzamide;hydrochloride
CID 119712810
4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride
CID 119831619
N-[(3,4-difluorophenyl)methyl]-4-(methylamino)butanamide
CID 54966098
N-benzylundecanamide
CID 5078198
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-4-(methylamino)butanamide;trihydrochloride
CID 119901607
N-[[4-(diethylamino)phenyl]methyl]-2-phenylacetamide
CID 99839692
4-(methylamino)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119835753
4-(methylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 119836186
N-[[4-(dimethylamino)phenyl]methyl]octadecanamide
CID 154276818

Frequently Asked Questions

What is the IUPAC name of N-[[4-(N-ethylanilino)phenyl]methyl]-4-(methylamino)butanamide?
The IUPAC name of N-[[4-(N-ethylanilino)phenyl]methyl]-4-(methylamino)butanamide (CID 119805510) is N-[[4-(N-ethylanilino)phenyl]methyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[[4-(N-ethylanilino)phenyl]methyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[[4-(N-ethylanilino)phenyl]methyl]-4-(methylamino)butanamide is CCN(c1ccccc1)c1ccc(CNC(=O)CCCNC)cc1.
What is the InChIKey of N-[[4-(N-ethylanilino)phenyl]methyl]-4-(methylamino)butanamide?
The InChIKey is GEZCPEMRDXJILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-23(18-8-5-4-6-9-18)19-13-11-17(12-14-19)16-22-20(24)10-7-15-21-2/h4-6,8-9,11-14,21H,3,7,10,15-16H2,1-2H3,(H,22,24).
What are the key properties of N-[[4-(N-ethylanilino)phenyl]methyl]-4-(methylamino)butanamide?
N-[[4-(N-ethylanilino)phenyl]methyl]-4-(methylamino)butanamide has a molecular weight of 325.46 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(N-ethylanilino)phenyl]methyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119805510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).