2-[4-(4-ethylpiperazin-1-yl)-2-methylanilino]-N-naphthalen-1-ylpropanamide

C26H32N4O — CID 55572493

IUPAC2-[4-(4-ethylpiperazin-1-yl)-2-methylanilino]-N-naphthalen-1-ylpropanamide
SMILESCCN1CCN(c2ccc(NC(C)C(=O)Nc3cccc4ccccc34)c(C)c2)CC1
InChIInChI=1S/C26H32N4O/c1-4-29-14-16-30(17-15-29)22-12-13-24(19(2)18-22)27-20(3)26(31)28-25-11-7-9-21-8-5-6-10-23(21)25/h5-13,18,20,27H,4,14-17H2,1-3H3,(H,28,31)
InChIKeyWQKFIHHQRBHOET-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.73
Rot. Bonds6

About 2-[4-(4-ethylpiperazin-1-yl)-2-methylanilino]-N-naphthalen-1-ylpropanamide

2-[4-(4-ethylpiperazin-1-yl)-2-methylanilino]-N-naphthalen-1-ylpropanamide (PubChem CID 55572493) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is 2-[4-(4-ethylpiperazin-1-yl)-2-methylanilino]-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name2-[4-(4-ethylpiperazin-1-yl)-2-methylanilino]-N-naphthalen-1-ylpropanamide
PubChem CID55572493
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name2-[4-(4-ethylpiperazin-1-yl)-2-methylanilino]-N-naphthalen-1-ylpropanamide
SMILESCCN1CCN(c2ccc(NC(C)C(=O)Nc3cccc4ccccc34)c(C)c2)CC1
InChIInChI=1S/C26H32N4O/c1-4-29-14-16-30(17-15-29)22-12-13-24(19(2)18-22)27-20(3)26(31)28-25-11-7-9-21-8-5-6-10-23(21)25/h5-13,18,20,27H,4,14-17H2,1-3H3,(H,28,31)
InChIKeyWQKFIHHQRBHOET-UHFFFAOYSA-N
XLogP4.73
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-phenylurea
CID 36824225
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933446
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 34193147
2-(2,6-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
CID 34193676
1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(3-fluorophenyl)urea
CID 48741053
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-methylindol-1-yl)acetamide
CID 37321688
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]thiophene-3-carboxamide
CID 78802774
(2R)-2-(2-fluoroanilino)-N-naphthalen-1-ylpropanamide
CID 7872612
(2R)-N-(2-chloro-3-pyridinyl)-2-(2-methyl-4-morpholin-4-ylanilino)propanamide
CID 94114535
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515176
2-(4-benzylpiperazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
CID 30863495
(2R)-2-(2-methyl-4-morpholin-4-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 34499731

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylpiperazin-1-yl)-2-methylanilino]-N-naphthalen-1-ylpropanamide?
The IUPAC name of 2-[4-(4-ethylpiperazin-1-yl)-2-methylanilino]-N-naphthalen-1-ylpropanamide (CID 55572493) is 2-[4-(4-ethylpiperazin-1-yl)-2-methylanilino]-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 2-[4-(4-ethylpiperazin-1-yl)-2-methylanilino]-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 2-[4-(4-ethylpiperazin-1-yl)-2-methylanilino]-N-naphthalen-1-ylpropanamide is CCN1CCN(c2ccc(NC(C)C(=O)Nc3cccc4ccccc34)c(C)c2)CC1.
What is the InChIKey of 2-[4-(4-ethylpiperazin-1-yl)-2-methylanilino]-N-naphthalen-1-ylpropanamide?
The InChIKey is WQKFIHHQRBHOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c1-4-29-14-16-30(17-15-29)22-12-13-24(19(2)18-22)27-20(3)26(31)28-25-11-7-9-21-8-5-6-10-23(21)25/h5-13,18,20,27H,4,14-17H2,1-3H3,(H,28,31).
What are the key properties of 2-[4-(4-ethylpiperazin-1-yl)-2-methylanilino]-N-naphthalen-1-ylpropanamide?
2-[4-(4-ethylpiperazin-1-yl)-2-methylanilino]-N-naphthalen-1-ylpropanamide has a molecular weight of 416.57 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylpiperazin-1-yl)-2-methylanilino]-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 55572493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).