2-amino-N-[(4-propylphenoxy)methylcarbamoyl]benzamide

C18H21N3O3 — CID 108879563

IUPAC2-amino-N-[(4-propylphenoxy)methylcarbamoyl]benzamide
SMILESCCCc1ccc(OCNC(=O)NC(=O)c2ccccc2N)cc1
InChIInChI=1S/C18H21N3O3/c1-2-5-13-8-10-14(11-9-13)24-12-20-18(23)21-17(22)15-6-3-4-7-16(15)19/h3-4,6-11H,2,5,12,19H2,1H3,(H2,20,21,22,23)
InChIKeyFSHGRLCONWMXLD-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.70
Rot. Bonds6

About 2-amino-N-[(4-propylphenoxy)methylcarbamoyl]benzamide

2-amino-N-[(4-propylphenoxy)methylcarbamoyl]benzamide (PubChem CID 108879563) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-amino-N-[(4-propylphenoxy)methylcarbamoyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[(4-propylphenoxy)methylcarbamoyl]benzamide
PubChem CID108879563
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-amino-N-[(4-propylphenoxy)methylcarbamoyl]benzamide
SMILESCCCc1ccc(OCNC(=O)NC(=O)c2ccccc2N)cc1
InChIInChI=1S/C18H21N3O3/c1-2-5-13-8-10-14(11-9-13)24-12-20-18(23)21-17(22)15-6-3-4-7-16(15)19/h3-4,6-11H,2,5,12,19H2,1H3,(H2,20,21,22,23)
InChIKeyFSHGRLCONWMXLD-UHFFFAOYSA-N
XLogP2.70
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-amino-N-[(4-propylphenoxy)methylcarbamoyl]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

2-amino-N-[2-(4-methoxyphenyl)ethylcarbamoyl]benzamide
CID 108901974
butyl 2-[(4-propylphenoxy)methylcarbamoylamino]benzoate
CID 108879441
1-(2-amino-4-methylphenyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879647
1-(4-aminophenyl)-1-phenyl-3-[(4-propylphenoxy)methyl]urea
CID 108879522
2-amino-N-[(4-methylphenyl)methylcarbamoyl]benzamide
CID 108899120
1-(3-methylphenyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879448
1-prop-2-enyl-3-[(4-propylphenoxy)methyl]urea
CID 108879533
2-amino-N-[(4-fluorophenyl)methylcarbamoyl]benzamide
CID 108867707
1-(2,2-diethoxyethyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879692
1-[(3-methylphenyl)methyl]-3-[(4-propylphenoxy)methyl]urea
CID 108879664
1-(5-methyl-2-pyridinyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879684
4-amino-N-(phenoxymethylcarbamoyl)benzamide
CID 108888975

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-propylphenoxy)methylcarbamoyl]benzamide?
The IUPAC name of 2-amino-N-[(4-propylphenoxy)methylcarbamoyl]benzamide (CID 108879563) is 2-amino-N-[(4-propylphenoxy)methylcarbamoyl]benzamide.
What is the SMILES notation for 2-amino-N-[(4-propylphenoxy)methylcarbamoyl]benzamide?
The canonical SMILES for 2-amino-N-[(4-propylphenoxy)methylcarbamoyl]benzamide is CCCc1ccc(OCNC(=O)NC(=O)c2ccccc2N)cc1.
What is the InChIKey of 2-amino-N-[(4-propylphenoxy)methylcarbamoyl]benzamide?
The InChIKey is FSHGRLCONWMXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-2-5-13-8-10-14(11-9-13)24-12-20-18(23)21-17(22)15-6-3-4-7-16(15)19/h3-4,6-11H,2,5,12,19H2,1H3,(H2,20,21,22,23).
What are the key properties of 2-amino-N-[(4-propylphenoxy)methylcarbamoyl]benzamide?
2-amino-N-[(4-propylphenoxy)methylcarbamoyl]benzamide has a molecular weight of 327.38 g/mol, XLogP of 2.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-propylphenoxy)methylcarbamoyl]benzamide is sourced from PubChem (CID 108879563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).