N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[3-(4-methoxyphenyl)pyrazol-1-yl]acetamide

C22H25N5O3 — CID 11430688

IUPACN-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[3-(4-methoxyphenyl)pyrazol-1-yl]acetamide
SMILES[H]/N=C(\N)c1ccc(CNC(=O)C(OCC)n2ccc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C22H25N5O3/c1-3-30-22(21(28)25-14-15-4-6-17(7-5-15)20(23)24)27-13-12-19(26-27)16-8-10-18(29-2)11-9-16/h4-13,22H,3,14H2,1-2H3,(H3,23,24)(H,25,28)
InChIKeyNDENOFICPBFUCC-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.69
Rot. Bonds9

About N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[3-(4-methoxyphenyl)pyrazol-1-yl]acetamide

N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[3-(4-methoxyphenyl)pyrazol-1-yl]acetamide (PubChem CID 11430688) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[3-(4-methoxyphenyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[3-(4-methoxyphenyl)pyrazol-1-yl]acetamide
PubChem CID11430688
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[3-(4-methoxyphenyl)pyrazol-1-yl]acetamide
SMILES[H]/N=C(\N)c1ccc(CNC(=O)C(OCC)n2ccc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C22H25N5O3/c1-3-30-22(21(28)25-14-15-4-6-17(7-5-15)20(23)24)27-13-12-19(26-27)16-8-10-18(29-2)11-9-16/h4-13,22H,3,14H2,1-2H3,(H3,23,24)(H,25,28)
InChIKeyNDENOFICPBFUCC-UHFFFAOYSA-N
XLogP2.69
TPSA115.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[3-(4-methoxyphenyl)pyrazol-1-yl]acetamide 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-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide
CID 11419248
N-[(4-carbamimidoylphenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-2-ethoxyacetamide
CID 11282109
(2S)-N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(4-ethoxyphenyl)acetamide;hydrochloride
CID 69289199
(2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[[(2R)-2-(ethylsulfonylamino)-3-[4-(4-methoxyphenyl)phenyl]propanoyl]amino]pentanediamide
CID 58594894
2-ethoxy-N-[[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]methyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide
CID 11440809
acetic acid;N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(4-methyl-3-oxo-1H-isoindol-2-yl)acetamide
CID 11305250
(2S)-N-[(4-carbamimidoylphenyl)methyl]-2-(2,6-difluoro-4-pyridin-2-ylphenyl)-2-ethoxyacetamide;hydrochloride
CID 69291802
(2S)-N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(4-ethoxy-2,6-difluorophenyl)acetamide;hydrochloride
CID 69290938
(2S)-2-[4-(6-amino-2-pyridinyl)-2,6-difluorophenyl]-N-[(4-carbamimidoylphenyl)methyl]-2-ethoxyacetamide;hydrochloride
CID 69290697
acetic acid;N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(1-methylbenzimidazol-2-yl)acetamide
CID 11201101
methyl 3-[4-[2-[(4-carbamimidoylphenyl)methylamino]-1-ethoxy-2-oxoethyl]-3,5-difluorophenyl]benzoate
CID 69290663
(2R)-2-[4-(2-aminopyrimidin-5-yl)-2,6-difluorophenyl]-N-[(4-carbamimidoylphenyl)methyl]-2-ethoxyacetamide
CID 10457717

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[3-(4-methoxyphenyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[3-(4-methoxyphenyl)pyrazol-1-yl]acetamide (CID 11430688) is N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[3-(4-methoxyphenyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[3-(4-methoxyphenyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[3-(4-methoxyphenyl)pyrazol-1-yl]acetamide is [H]/N=C(\N)c1ccc(CNC(=O)C(OCC)n2ccc(-c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[3-(4-methoxyphenyl)pyrazol-1-yl]acetamide?
The InChIKey is NDENOFICPBFUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-3-30-22(21(28)25-14-15-4-6-17(7-5-15)20(23)24)27-13-12-19(26-27)16-8-10-18(29-2)11-9-16/h4-13,22H,3,14H2,1-2H3,(H3,23,24)(H,25,28).
What are the key properties of N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[3-(4-methoxyphenyl)pyrazol-1-yl]acetamide?
N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[3-(4-methoxyphenyl)pyrazol-1-yl]acetamide has a molecular weight of 407.47 g/mol, XLogP of 2.69, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[3-(4-methoxyphenyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 11430688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).