2-amino-4-(4-ethylpiperazin-1-yl)-2-phenylbutanamide

C16H26N4O — CID 116693503

IUPAC2-amino-4-(4-ethylpiperazin-1-yl)-2-phenylbutanamide
SMILESCCN1CCN(CCC(N)(C(N)=O)c2ccccc2)CC1
InChIInChI=1S/C16H26N4O/c1-2-19-10-12-20(13-11-19)9-8-16(18,15(17)21)14-6-4-3-5-7-14/h3-7H,2,8-13,18H2,1H3,(H2,17,21)
InChIKeyIGVFAERBLUNOPB-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.35
Rot. Bonds6

About 2-amino-4-(4-ethylpiperazin-1-yl)-2-phenylbutanamide

2-amino-4-(4-ethylpiperazin-1-yl)-2-phenylbutanamide (PubChem CID 116693503) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-amino-4-(4-ethylpiperazin-1-yl)-2-phenylbutanamide.

Molecular Properties

Compound Name2-amino-4-(4-ethylpiperazin-1-yl)-2-phenylbutanamide
PubChem CID116693503
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-amino-4-(4-ethylpiperazin-1-yl)-2-phenylbutanamide
SMILESCCN1CCN(CCC(N)(C(N)=O)c2ccccc2)CC1
InChIInChI=1S/C16H26N4O/c1-2-19-10-12-20(13-11-19)9-8-16(18,15(17)21)14-6-4-3-5-7-14/h3-7H,2,8-13,18H2,1H3,(H2,17,21)
InChIKeyIGVFAERBLUNOPB-UHFFFAOYSA-N
XLogP0.35
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(azocan-1-yl)-2-phenylbutanamide
CID 116693501
2-amino-4-(1-oxo-1,4-thiazinan-4-yl)-2-phenylbutanamide
CID 116693803
2-amino-4-(3-ethylpyrrolidin-1-yl)-2-phenylbutanamide
CID 116693918
2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanamide
CID 116693857
2-amino-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-phenylpropanamide
CID 63210905
2-ethyl-2-phenyl-4-piperidin-1-ylbutanamide
CID 18110
2-ethyl-4-morpholin-4-yl-2-phenylbutanamide
CID 18114
ethyl 4-(3-methyl-3-phenylbutyl)piperazine-1-carboxylate
CID 14649429
2-amino-4-[methyl(3-methylbutyl)amino]-2-phenylbutanamide
CID 116693835
methyl 2-amino-4-(1,4-oxazepan-4-yl)-2-phenylbutanoate
CID 116693847
4-morpholin-4-yl-2,2-diphenylbutanamide
CID 24840208
2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanamide
CID 116693883

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-ethylpiperazin-1-yl)-2-phenylbutanamide?
The IUPAC name of 2-amino-4-(4-ethylpiperazin-1-yl)-2-phenylbutanamide (CID 116693503) is 2-amino-4-(4-ethylpiperazin-1-yl)-2-phenylbutanamide.
What is the SMILES notation for 2-amino-4-(4-ethylpiperazin-1-yl)-2-phenylbutanamide?
The canonical SMILES for 2-amino-4-(4-ethylpiperazin-1-yl)-2-phenylbutanamide is CCN1CCN(CCC(N)(C(N)=O)c2ccccc2)CC1.
What is the InChIKey of 2-amino-4-(4-ethylpiperazin-1-yl)-2-phenylbutanamide?
The InChIKey is IGVFAERBLUNOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-19-10-12-20(13-11-19)9-8-16(18,15(17)21)14-6-4-3-5-7-14/h3-7H,2,8-13,18H2,1H3,(H2,17,21).
What are the key properties of 2-amino-4-(4-ethylpiperazin-1-yl)-2-phenylbutanamide?
2-amino-4-(4-ethylpiperazin-1-yl)-2-phenylbutanamide has a molecular weight of 290.41 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-ethylpiperazin-1-yl)-2-phenylbutanamide is sourced from PubChem (CID 116693503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).