3-amino-N-[3-(diethylamino)-3-oxopropyl]-4-methoxybenzamide

C15H23N3O3 — CID 61102199

IUPAC3-amino-N-[3-(diethylamino)-3-oxopropyl]-4-methoxybenzamide
SMILESCCN(CC)C(=O)CCNC(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C15H23N3O3/c1-4-18(5-2)14(19)8-9-17-15(20)11-6-7-13(21-3)12(16)10-11/h6-7,10H,4-5,8-9,16H2,1-3H3,(H,17,20)
InChIKeyDYIBVTRWPZZXQS-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.27
Rot. Bonds7

About 3-amino-N-[3-(diethylamino)-3-oxopropyl]-4-methoxybenzamide

3-amino-N-[3-(diethylamino)-3-oxopropyl]-4-methoxybenzamide (PubChem CID 61102199) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-amino-N-[3-(diethylamino)-3-oxopropyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[3-(diethylamino)-3-oxopropyl]-4-methoxybenzamide
PubChem CID61102199
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-amino-N-[3-(diethylamino)-3-oxopropyl]-4-methoxybenzamide
SMILESCCN(CC)C(=O)CCNC(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C15H23N3O3/c1-4-18(5-2)14(19)8-9-17-15(20)11-6-7-13(21-3)12(16)10-11/h6-7,10H,4-5,8-9,16H2,1-3H3,(H,17,20)
InChIKeyDYIBVTRWPZZXQS-UHFFFAOYSA-N
XLogP1.27
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-[3-(diethylamino)-3-oxopropyl]-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 115597740
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
3-amino-N,N-diethyl-4-methoxybenzamide
CID 16770695
3-amino-N-(4-amino-4-oxobutyl)-4-methoxybenzamide
CID 60864435
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 43310728
3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 82070538
3-amino-4-methoxy-N-(3-methylsulfinylpropyl)benzamide
CID 113487114
3-amino-N-(2-ethoxyethyl)-N-ethyl-4-methoxybenzamide
CID 63697687
N-[4-(diethylamino)-4-oxobutyl]-4-methoxy-3-nitrobenzamide
CID 60513270
3-amino-N-(2-cyclopentylethyl)-4-methoxybenzamide
CID 54932498
methyl 3-[(4-amino-3-methoxybenzoyl)amino]propanoate
CID 104782478
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(diethylamino)-3-oxopropyl]-4-methoxybenzamide?
The IUPAC name of 3-amino-N-[3-(diethylamino)-3-oxopropyl]-4-methoxybenzamide (CID 61102199) is 3-amino-N-[3-(diethylamino)-3-oxopropyl]-4-methoxybenzamide.
What is the SMILES notation for 3-amino-N-[3-(diethylamino)-3-oxopropyl]-4-methoxybenzamide?
The canonical SMILES for 3-amino-N-[3-(diethylamino)-3-oxopropyl]-4-methoxybenzamide is CCN(CC)C(=O)CCNC(=O)c1ccc(OC)c(N)c1.
What is the InChIKey of 3-amino-N-[3-(diethylamino)-3-oxopropyl]-4-methoxybenzamide?
The InChIKey is DYIBVTRWPZZXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-18(5-2)14(19)8-9-17-15(20)11-6-7-13(21-3)12(16)10-11/h6-7,10H,4-5,8-9,16H2,1-3H3,(H,17,20).
What are the key properties of 3-amino-N-[3-(diethylamino)-3-oxopropyl]-4-methoxybenzamide?
3-amino-N-[3-(diethylamino)-3-oxopropyl]-4-methoxybenzamide has a molecular weight of 293.37 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(diethylamino)-3-oxopropyl]-4-methoxybenzamide is sourced from PubChem (CID 61102199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).