2-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-methylbutanamide

C19H30N4O2 — CID 46807379

IUPAC2-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-methylbutanamide
SMILESCCN1CCN(c2ccc(NC(=O)C(NC(C)=O)C(C)C)cc2)CC1
InChIInChI=1S/C19H30N4O2/c1-5-22-10-12-23(13-11-22)17-8-6-16(7-9-17)21-19(25)18(14(2)3)20-15(4)24/h6-9,14,18H,5,10-13H2,1-4H3,(H,20,24)(H,21,25)
InChIKeyZTLWIKJSQAWFEN-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.93
Rot. Bonds6

About 2-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-methylbutanamide

2-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-methylbutanamide (PubChem CID 46807379) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-methylbutanamide
PubChem CID46807379
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name2-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-methylbutanamide
SMILESCCN1CCN(c2ccc(NC(=O)C(NC(C)=O)C(C)C)cc2)CC1
InChIInChI=1S/C19H30N4O2/c1-5-22-10-12-23(13-11-22)17-8-6-16(7-9-17)21-19(25)18(14(2)3)20-15(4)24/h6-9,14,18H,5,10-13H2,1-4H3,(H,20,24)(H,21,25)
InChIKeyZTLWIKJSQAWFEN-UHFFFAOYSA-N
XLogP1.93
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.93
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

(2R)-2-acetamido-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide
CID 41236080
N-(4-acetamidophenyl)-2-[4-(4-ethylpiperazin-1-yl)anilino]propanamide
CID 18532520
(2R)-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylsulfanylpropanamide
CID 42297885
ethyl N-[1-[4-(azepan-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55650062
ethyl N-[3-methyl-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate
CID 42897624
2-(2-bromo-4-chlorophenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 46540861
2-acetamido-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 42962486
2-acetamido-N-(4-bromophenyl)-3-methylbutanamide
CID 17391080
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
N-[(2S)-1-[4-(4-benzylpiperazin-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 41083263
[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 16624894
5-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 17488532

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-methylbutanamide (CID 46807379) is 2-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-methylbutanamide is CCN1CCN(c2ccc(NC(=O)C(NC(C)=O)C(C)C)cc2)CC1.
What is the InChIKey of 2-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-methylbutanamide?
The InChIKey is ZTLWIKJSQAWFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-5-22-10-12-23(13-11-22)17-8-6-16(7-9-17)21-19(25)18(14(2)3)20-15(4)24/h6-9,14,18H,5,10-13H2,1-4H3,(H,20,24)(H,21,25).
What are the key properties of 2-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-methylbutanamide?
2-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-methylbutanamide has a molecular weight of 346.48 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-methylbutanamide is sourced from PubChem (CID 46807379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).