2-(4-amino-N-propylanilino)-N-(methylcarbamoyl)propanamide

C14H22N4O2 — CID 63233816

IUPAC2-(4-amino-N-propylanilino)-N-(methylcarbamoyl)propanamide
SMILESCCCN(c1ccc(N)cc1)C(C)C(=O)NC(=O)NC
InChIInChI=1S/C14H22N4O2/c1-4-9-18(12-7-5-11(15)6-8-12)10(2)13(19)17-14(20)16-3/h5-8,10H,4,9,15H2,1-3H3,(H2,16,17,19,20)
InChIKeyVLSXWYQLXFTARY-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.33
Rot. Bonds5

About 2-(4-amino-N-propylanilino)-N-(methylcarbamoyl)propanamide

2-(4-amino-N-propylanilino)-N-(methylcarbamoyl)propanamide (PubChem CID 63233816) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(4-amino-N-propylanilino)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(4-amino-N-propylanilino)-N-(methylcarbamoyl)propanamide
PubChem CID63233816
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-(4-amino-N-propylanilino)-N-(methylcarbamoyl)propanamide
SMILESCCCN(c1ccc(N)cc1)C(C)C(=O)NC(=O)NC
InChIInChI=1S/C14H22N4O2/c1-4-9-18(12-7-5-11(15)6-8-12)10(2)13(19)17-14(20)16-3/h5-8,10H,4,9,15H2,1-3H3,(H2,16,17,19,20)
InChIKeyVLSXWYQLXFTARY-UHFFFAOYSA-N
XLogP1.33
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-amino-N-propylanilino)-N-(methylcarbamoyl)propanamide 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-(4-amino-N-propylanilino)-N-ethylpropanamide
CID 63233950
2-(4-amino-N-propylanilino)propanamide
CID 63233906
2-(4-amino-N-propylanilino)-N-cyclopentylpropanamide
CID 63233776
3-(N-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]anilino)propanoic acid
CID 60840258
2-(4-methyl-N-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]anilino)acetic acid
CID 60840590
2-(4-amino-N-propylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 63233777
2-[4-(aminomethyl)-N-propylanilino]-N-ethylpropanamide
CID 43275941
2-[(2-aminophenyl)methyl-propylamino]-N-(methylcarbamoyl)propanamide
CID 43459973
2-[(3-aminophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 43458016
(2R)-2-(4-ethyl-N-propylanilino)propanoic acid
CID 125045091
N-(ethylcarbamoyl)-2-(N-ethyl-4-fluoroanilino)propanamide
CID 78818776
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 7781123

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N-propylanilino)-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-(4-amino-N-propylanilino)-N-(methylcarbamoyl)propanamide (CID 63233816) is 2-(4-amino-N-propylanilino)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-(4-amino-N-propylanilino)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-(4-amino-N-propylanilino)-N-(methylcarbamoyl)propanamide is CCCN(c1ccc(N)cc1)C(C)C(=O)NC(=O)NC.
What is the InChIKey of 2-(4-amino-N-propylanilino)-N-(methylcarbamoyl)propanamide?
The InChIKey is VLSXWYQLXFTARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-9-18(12-7-5-11(15)6-8-12)10(2)13(19)17-14(20)16-3/h5-8,10H,4,9,15H2,1-3H3,(H2,16,17,19,20).
What are the key properties of 2-(4-amino-N-propylanilino)-N-(methylcarbamoyl)propanamide?
2-(4-amino-N-propylanilino)-N-(methylcarbamoyl)propanamide has a molecular weight of 278.36 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-N-propylanilino)-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 63233816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).