3-(4-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide

C15H23N3O2 — CID 61115612

IUPAC3-(4-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
SMILESCCCNC(=O)CN(C)C(=O)CCc1ccc(N)cc1
InChIInChI=1S/C15H23N3O2/c1-3-10-17-14(19)11-18(2)15(20)9-6-12-4-7-13(16)8-5-12/h4-5,7-8H,3,6,9-11,16H2,1-2H3,(H,17,19)
InChIKeyXITFBDVNUPLZCQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.19
Rot. Bonds7

About 3-(4-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide

3-(4-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide (PubChem CID 61115612) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
PubChem CID61115612
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-(4-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
SMILESCCCNC(=O)CN(C)C(=O)CCc1ccc(N)cc1
InChIInChI=1S/C15H23N3O2/c1-3-10-17-14(19)11-18(2)15(20)9-6-12-4-7-13(16)8-5-12/h4-5,7-8H,3,6,9-11,16H2,1-2H3,(H,17,19)
InChIKeyXITFBDVNUPLZCQ-UHFFFAOYSA-N
XLogP1.19
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 61037277
3-(4-aminophenyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 61107025
3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 61115445
2-(5-amino-2-oxo-1-pyridinyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 62814969
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide
CID 28712797
2-[(4-aminophenyl)methyl-[2-oxo-2-(propylamino)ethyl]amino]acetamide
CID 43461145
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
CID 55258212
2-(4-aminophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride
CID 119741239
2-(2-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 61115422
2-[2-(4-aminophenyl)ethylsulfanyl]-N-propylacetamide
CID 114233387
2-(4-aminopyrazol-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 61116168
4-[3-oxo-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propyl]benzoic acid
CID 119181956

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide (CID 61115612) is 3-(4-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide is CCCNC(=O)CN(C)C(=O)CCc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The InChIKey is XITFBDVNUPLZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-10-17-14(19)11-18(2)15(20)9-6-12-4-7-13(16)8-5-12/h4-5,7-8H,3,6,9-11,16H2,1-2H3,(H,17,19).
What are the key properties of 3-(4-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide?
3-(4-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide is sourced from PubChem (CID 61115612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).