2-ethoxy-N-[4-[methyl(piperidin-4-yl)amino]-4-oxobutyl]benzamide

C19H29N3O3 — CID 119442533

IUPAC2-ethoxy-N-[4-[methyl(piperidin-4-yl)amino]-4-oxobutyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)N(C)C1CCNCC1
InChIInChI=1S/C19H29N3O3/c1-3-25-17-8-5-4-7-16(17)19(24)21-12-6-9-18(23)22(2)15-10-13-20-14-11-15/h4-5,7-8,15,20H,3,6,9-14H2,1-2H3,(H,21,24)
InChIKeyCGIYNTJGQWGRFZ-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.81
Rot. Bonds8

About 2-ethoxy-N-[4-[methyl(piperidin-4-yl)amino]-4-oxobutyl]benzamide

2-ethoxy-N-[4-[methyl(piperidin-4-yl)amino]-4-oxobutyl]benzamide (PubChem CID 119442533) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-ethoxy-N-[4-[methyl(piperidin-4-yl)amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-[methyl(piperidin-4-yl)amino]-4-oxobutyl]benzamide
PubChem CID119442533
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-ethoxy-N-[4-[methyl(piperidin-4-yl)amino]-4-oxobutyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)N(C)C1CCNCC1
InChIInChI=1S/C19H29N3O3/c1-3-25-17-8-5-4-7-16(17)19(24)21-12-6-9-18(23)22(2)15-10-13-20-14-11-15/h4-5,7-8,15,20H,3,6,9-14H2,1-2H3,(H,21,24)
InChIKeyCGIYNTJGQWGRFZ-UHFFFAOYSA-N
XLogP1.81
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butyl]benzamide;hydrochloride
CID 119531158
N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide
CID 134060964
2-ethoxy-N-[4-oxo-4-(piperidin-3-ylamino)butyl]benzamide;hydrochloride
CID 119426258
4-(2-ethoxyphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119554526
2-ethoxy-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389363
2-ethoxy-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 55427222
N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide
CID 51237421
2-ethoxy-N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]benzamide;hydrochloride
CID 119446636
2-ethoxy-N-[4-oxo-4-(N,3,5-trimethylanilino)butyl]benzamide
CID 55919133
2-ethoxy-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzamide
CID 36841911
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
CID 78854842

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-[methyl(piperidin-4-yl)amino]-4-oxobutyl]benzamide?
The IUPAC name of 2-ethoxy-N-[4-[methyl(piperidin-4-yl)amino]-4-oxobutyl]benzamide (CID 119442533) is 2-ethoxy-N-[4-[methyl(piperidin-4-yl)amino]-4-oxobutyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[4-[methyl(piperidin-4-yl)amino]-4-oxobutyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[4-[methyl(piperidin-4-yl)amino]-4-oxobutyl]benzamide is CCOc1ccccc1C(=O)NCCCC(=O)N(C)C1CCNCC1.
What is the InChIKey of 2-ethoxy-N-[4-[methyl(piperidin-4-yl)amino]-4-oxobutyl]benzamide?
The InChIKey is CGIYNTJGQWGRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-3-25-17-8-5-4-7-16(17)19(24)21-12-6-9-18(23)22(2)15-10-13-20-14-11-15/h4-5,7-8,15,20H,3,6,9-14H2,1-2H3,(H,21,24).
What are the key properties of 2-ethoxy-N-[4-[methyl(piperidin-4-yl)amino]-4-oxobutyl]benzamide?
2-ethoxy-N-[4-[methyl(piperidin-4-yl)amino]-4-oxobutyl]benzamide has a molecular weight of 347.46 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-[methyl(piperidin-4-yl)amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 119442533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).