3-acetyl-4-amino-N-[2-(diethylamino)ethyl]benzamide

C15H23N3O2 — CID 143395890

IUPAC3-acetyl-4-amino-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(N)c(C(C)=O)c1
InChIInChI=1S/C15H23N3O2/c1-4-18(5-2)9-8-17-15(20)12-6-7-14(16)13(10-12)11(3)19/h6-7,10H,4-5,8-9,16H2,1-3H3,(H,17,20)
InChIKeyGHXUPJRPNSCWIM-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.54
Rot. Bonds7

About 3-acetyl-4-amino-N-[2-(diethylamino)ethyl]benzamide

3-acetyl-4-amino-N-[2-(diethylamino)ethyl]benzamide (PubChem CID 143395890) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-acetyl-4-amino-N-[2-(diethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-acetyl-4-amino-N-[2-(diethylamino)ethyl]benzamide
PubChem CID143395890
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-acetyl-4-amino-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(N)c(C(C)=O)c1
InChIInChI=1S/C15H23N3O2/c1-4-18(5-2)9-8-17-15(20)12-6-7-14(16)13(10-12)11(3)19/h6-7,10H,4-5,8-9,16H2,1-3H3,(H,17,20)
InChIKeyGHXUPJRPNSCWIM-UHFFFAOYSA-N
XLogP1.54
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide
CID 18999797
4-amino-N-[2-(diethylamino)ethyl]-3-iodobenzamide
CID 112750715
4-amino-N-[2-(diethylamino)ethyl]-3-methoxybenzamide
CID 58155168
2,5-diamino-N-[2-(diethylamino)ethyl]benzamide
CID 21398311
3-amino-4-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 117067963
4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide
CID 110486010
4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
CID 70426685
3-amino-N-[2-(diethylamino)ethyl]-4-nitrobenzamide
CID 62682092
2-amino-N-[2-(diethylamino)ethyl]pyridine-4-carboxamide
CID 62156406
3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 2941785
4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
CID 19165344
3-bromo-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-methylbenzamide
CID 17229756

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-amino-N-[2-(diethylamino)ethyl]benzamide?
The IUPAC name of 3-acetyl-4-amino-N-[2-(diethylamino)ethyl]benzamide (CID 143395890) is 3-acetyl-4-amino-N-[2-(diethylamino)ethyl]benzamide.
What is the SMILES notation for 3-acetyl-4-amino-N-[2-(diethylamino)ethyl]benzamide?
The canonical SMILES for 3-acetyl-4-amino-N-[2-(diethylamino)ethyl]benzamide is CCN(CC)CCNC(=O)c1ccc(N)c(C(C)=O)c1.
What is the InChIKey of 3-acetyl-4-amino-N-[2-(diethylamino)ethyl]benzamide?
The InChIKey is GHXUPJRPNSCWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-18(5-2)9-8-17-15(20)12-6-7-14(16)13(10-12)11(3)19/h6-7,10H,4-5,8-9,16H2,1-3H3,(H,17,20).
What are the key properties of 3-acetyl-4-amino-N-[2-(diethylamino)ethyl]benzamide?
3-acetyl-4-amino-N-[2-(diethylamino)ethyl]benzamide has a molecular weight of 277.37 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-amino-N-[2-(diethylamino)ethyl]benzamide is sourced from PubChem (CID 143395890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).