3-amino-N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

C15H23N3O3 — CID 61115212

IUPAC3-amino-N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C15H23N3O3/c1-5-18(9-14(19)17-10(2)3)15(20)11-6-7-13(21-4)12(16)8-11/h6-8,10H,5,9,16H2,1-4H3,(H,17,19)
InChIKeyBBPZPMXQEOQDFX-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.26
Rot. Bonds6

About 3-amino-N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

3-amino-N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 61115212) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
PubChem CID61115212
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-amino-N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C15H23N3O3/c1-5-18(9-14(19)17-10(2)3)15(20)11-6-7-13(21-4)12(16)8-11/h6-8,10H,5,9,16H2,1-4H3,(H,17,19)
InChIKeyBBPZPMXQEOQDFX-UHFFFAOYSA-N
XLogP1.26
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.26
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

3-amino-N,N-diethyl-4-methoxybenzamide
CID 16770695
N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 47105894
3-amino-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 43567615
3-amino-4,5-dichloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 61116726
N-ethyl-2-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 18155625
N-ethyl-2,4-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 51172774
2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 78788548
4-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 8892305
3-amino-N-(2-ethoxyethyl)-N-ethyl-4-methoxybenzamide
CID 63697687
3-amino-4-ethoxy-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 61107770
N-ethyl-4-fluoro-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 63212665
3-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 115597740

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 3-amino-N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (CID 61115212) is 3-amino-N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is CCN(CC(=O)NC(C)C)C(=O)c1ccc(OC)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is BBPZPMXQEOQDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-18(9-14(19)17-10(2)3)15(20)11-6-7-13(21-4)12(16)8-11/h6-8,10H,5,9,16H2,1-4H3,(H,17,19).
What are the key properties of 3-amino-N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
3-amino-N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 293.37 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 61115212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).