4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide

C17H22N4O4 — CID 119108564

IUPAC4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
SMILESCOc1cc(C(=O)NCCCc2cnn(C)c2)ccc1OCC(N)=O
InChIInChI=1S/C17H22N4O4/c1-21-10-12(9-20-21)4-3-7-19-17(23)13-5-6-14(15(8-13)24-2)25-11-16(18)22/h5-6,8-10H,3-4,7,11H2,1-2H3,(H2,18,22)(H,19,23)
InChIKeyJOMCUVIDKABJBV-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.66
Rot. Bonds9

About 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide

4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide (PubChem CID 119108564) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
PubChem CID119108564
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
SMILESCOc1cc(C(=O)NCCCc2cnn(C)c2)ccc1OCC(N)=O
InChIInChI=1S/C17H22N4O4/c1-21-10-12(9-20-21)4-3-7-19-17(23)13-5-6-14(15(8-13)24-2)25-11-16(18)22/h5-6,8-10H,3-4,7,11H2,1-2H3,(H2,18,22)(H,19,23)
InChIKeyJOMCUVIDKABJBV-UHFFFAOYSA-N
XLogP0.66
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide 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

N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
3-[4-(aminomethyl)-2-fluorophenoxy]-4-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 154922832
2-[(3,4-dimethoxyphenyl)methyl]-1-[3-(1-methylpyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111098520
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111215277
3-amino-4-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 78984283
4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide
CID 119505377
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
3-bromo-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
CID 52869461
N-[3-(1-methylpyrazol-4-yl)propyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 91770397
4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide;hydrochloride
CID 119505376
3-methoxy-N-[2-(methylamino)propyl]-4-[(1-methylpyrazol-4-yl)methoxy]benzamide
CID 120828179
4-(2-amino-2-oxoethoxy)-N-[2-(cycloheptylamino)ethyl]-3-methoxybenzamide
CID 119619542

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide (CID 119108564) is 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide is COc1cc(C(=O)NCCCc2cnn(C)c2)ccc1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide?
The InChIKey is JOMCUVIDKABJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-21-10-12(9-20-21)4-3-7-19-17(23)13-5-6-14(15(8-13)24-2)25-11-16(18)22/h5-6,8-10H,3-4,7,11H2,1-2H3,(H2,18,22)(H,19,23).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide?
4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide has a molecular weight of 346.39 g/mol, XLogP of 0.66, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 119108564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).