3-amino-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide

C15H23N3O2 — CID 61102386

IUPAC3-amino-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide
SMILESCCN(CC)C(=O)CCNC(=O)c1cccc(N)c1C
InChIInChI=1S/C15H23N3O2/c1-4-18(5-2)14(19)9-10-17-15(20)12-7-6-8-13(16)11(12)3/h6-8H,4-5,9-10,16H2,1-3H3,(H,17,20)
InChIKeyZGZHBAVBUXANSB-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.57
Rot. Bonds6

About 3-amino-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide

3-amino-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide (PubChem CID 61102386) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-amino-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide
PubChem CID61102386
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-amino-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide
SMILESCCN(CC)C(=O)CCNC(=O)c1cccc(N)c1C
InChIInChI=1S/C15H23N3O2/c1-4-18(5-2)14(19)9-10-17-15(20)12-7-6-8-13(16)11(12)3/h6-8H,4-5,9-10,16H2,1-3H3,(H,17,20)
InChIKeyZGZHBAVBUXANSB-UHFFFAOYSA-N
XLogP1.57
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-bromo-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide
CID 107872306
3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide
CID 61140590
ethyl 2-[(3-amino-2-methylbenzoyl)amino]acetate
CID 60812497
3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide
CID 61139442
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-2-methylbenzamide
CID 18070893
2-amino-4-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide
CID 79719377
N-[3-(diethylamino)-3-oxopropyl]-2-(ethylamino)benzamide
CID 63107836
3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbenzamide
CID 103100884
3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 61140792
3-amino-2-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 113449772
3-amino-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43310303
3-amino-2-methyl-N-prop-2-enylbenzamide
CID 28723067

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of 3-amino-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide (CID 61102386) is 3-amino-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for 3-amino-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide is CCN(CC)C(=O)CCNC(=O)c1cccc(N)c1C.
What is the InChIKey of 3-amino-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide?
The InChIKey is ZGZHBAVBUXANSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-18(5-2)14(19)9-10-17-15(20)12-7-6-8-13(16)11(12)3/h6-8H,4-5,9-10,16H2,1-3H3,(H,17,20).
What are the key properties of 3-amino-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide?
3-amino-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 61102386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).