N-(3-amino-4-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide

C16H26N4O2 — CID 119419850

IUPACN-(3-amino-4-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
SMILESCCN1CCN(CCC(=O)Nc2ccc(OC)c(N)c2)CC1
InChIInChI=1S/C16H26N4O2/c1-3-19-8-10-20(11-9-19)7-6-16(21)18-13-4-5-15(22-2)14(17)12-13/h4-5,12H,3,6-11,17H2,1-2H3,(H,18,21)
InChIKeyXZFBHCVLPRTXJD-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.24
Rot. Bonds6

About N-(3-amino-4-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide

N-(3-amino-4-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide (PubChem CID 119419850) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
PubChem CID119419850
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-(3-amino-4-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
SMILESCCN1CCN(CCC(=O)Nc2ccc(OC)c(N)c2)CC1
InChIInChI=1S/C16H26N4O2/c1-3-19-8-10-20(11-9-19)7-6-16(21)18-13-4-5-15(22-2)14(17)12-13/h4-5,12H,3,6-11,17H2,1-2H3,(H,18,21)
InChIKeyXZFBHCVLPRTXJD-UHFFFAOYSA-N
XLogP1.24
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 29053524
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 109033634
N-(3-amino-4-methoxyphenyl)octanamide
CID 43599945
N-(3-amino-4-methoxyphenyl)octadecanamide
CID 11361725
N-(3-amino-4-methoxyphenyl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide
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N-(3-amino-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 119419381
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 704893
N-[3-(aminomethyl)phenyl]-3-(4-ethylpiperazin-1-yl)propanamide
CID 16793720
N-(3-amino-4-methoxyphenyl)-4-methylsulfonylbutanamide
CID 119420511
3-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109017718
N-(3-amino-4-methoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide
CID 119419435
N-(3-amino-4-methoxyphenyl)-4-ethylmorpholine-2-carboxamide;dihydrochloride
CID 119419896

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide (CID 119419850) is N-(3-amino-4-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide is CCN1CCN(CCC(=O)Nc2ccc(OC)c(N)c2)CC1.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide?
The InChIKey is XZFBHCVLPRTXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-3-19-8-10-20(11-9-19)7-6-16(21)18-13-4-5-15(22-2)14(17)12-13/h4-5,12H,3,6-11,17H2,1-2H3,(H,18,21).
What are the key properties of N-(3-amino-4-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide?
N-(3-amino-4-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide has a molecular weight of 306.41 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide is sourced from PubChem (CID 119419850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).