3-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide

C19H32N4O — CID 110444367

IUPAC3-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
SMILESCCN1CCN(CCCCNC(=O)c2cccc(N(C)C)c2)CC1
InChIInChI=1S/C19H32N4O/c1-4-22-12-14-23(15-13-22)11-6-5-10-20-19(24)17-8-7-9-18(16-17)21(2)3/h7-9,16H,4-6,10-15H2,1-3H3,(H,20,24)
InChIKeyRYETWOVEDLUANU-UHFFFAOYSA-N
MW332.49 g/mol
LogP1.90
Rot. Bonds8

About 3-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide

3-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide (PubChem CID 110444367) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
PubChem CID110444367
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name3-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
SMILESCCN1CCN(CCCCNC(=O)c2cccc(N(C)C)c2)CC1
InChIInChI=1S/C19H32N4O/c1-4-22-12-14-23(15-13-22)11-6-5-10-20-19(24)17-8-7-9-18(16-17)21(2)3/h7-9,16H,4-6,10-15H2,1-3H3,(H,20,24)
InChIKeyRYETWOVEDLUANU-UHFFFAOYSA-N
XLogP1.90
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-N-[5-(4-ethylpiperazin-1-yl)pentyl]benzamide
CID 110444371
3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442007
N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442914
3-(dimethylamino)-N-(3-pyrrol-1-ylpropyl)benzamide
CID 90500669
N-(5-chloropentyl)-3-(dimethylamino)benzamide
CID 107321118
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide
CID 55660415
4-[[3-(dimethylamino)benzoyl]amino]butanoic acid
CID 43089726
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(propylsulfonylamino)benzamide
CID 55660410
N-[5-(4-ethylpiperazin-1-yl)pentyl]pyridine-3-carboxamide
CID 110442851
3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 110444148
3-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 25335787
4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide
CID 110444431

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide (CID 110444367) is 3-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide is CCN1CCN(CCCCNC(=O)c2cccc(N(C)C)c2)CC1.
What is the InChIKey of 3-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide?
The InChIKey is RYETWOVEDLUANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-4-22-12-14-23(15-13-22)11-6-5-10-20-19(24)17-8-7-9-18(16-17)21(2)3/h7-9,16H,4-6,10-15H2,1-3H3,(H,20,24).
What are the key properties of 3-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide?
3-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide has a molecular weight of 332.49 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide is sourced from PubChem (CID 110444367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).