N-(4-aminophenyl)-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide

C14H22N4O2 — CID 43374573

IUPACN-(4-aminophenyl)-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
SMILESCN(CCC(=O)Nc1ccc(N)cc1)CC(=O)N(C)C
InChIInChI=1S/C14H22N4O2/c1-17(2)14(20)10-18(3)9-8-13(19)16-12-6-4-11(15)5-7-12/h4-7H,8-10,15H2,1-3H3,(H,16,19)
InChIKeyZYKLRXWKXFNNJU-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.62
Rot. Bonds6

About N-(4-aminophenyl)-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide

N-(4-aminophenyl)-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide (PubChem CID 43374573) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
PubChem CID43374573
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(4-aminophenyl)-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
SMILESCN(CCC(=O)Nc1ccc(N)cc1)CC(=O)N(C)C
InChIInChI=1S/C14H22N4O2/c1-17(2)14(20)10-18(3)9-8-13(19)16-12-6-4-11(15)5-7-12/h4-7H,8-10,15H2,1-3H3,(H,16,19)
InChIKeyZYKLRXWKXFNNJU-UHFFFAOYSA-N
XLogP0.62
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-(4-aminophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 43374598
N-(4-aminophenyl)-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43374496
N-(4-aminophenyl)-3-[methyl(2-methylsulfonylethyl)amino]propanamide
CID 79844997
N-(4-aminophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 60890401
N-(4-aminophenyl)-2-[ethyl(methyl)amino]acetamide
CID 43263037
N-[3-(aminomethyl)phenyl]-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43374708
N-(4-aminophenyl)-3-(dibutylamino)propanamide
CID 28982366
N-(4-aminophenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 65482728
N-(4-aminophenyl)-4-[2-ethoxyethyl(methyl)amino]butanamide
CID 81053044
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide
CID 8712033
N-(4-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide
CID 79383773
3-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-N-(4-sulfamoylphenyl)propanamide
CID 55911573

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide?
The IUPAC name of N-(4-aminophenyl)-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide (CID 43374573) is N-(4-aminophenyl)-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide.
What is the SMILES notation for N-(4-aminophenyl)-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide?
The canonical SMILES for N-(4-aminophenyl)-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide is CN(CCC(=O)Nc1ccc(N)cc1)CC(=O)N(C)C.
What is the InChIKey of N-(4-aminophenyl)-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide?
The InChIKey is ZYKLRXWKXFNNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-17(2)14(20)10-18(3)9-8-13(19)16-12-6-4-11(15)5-7-12/h4-7H,8-10,15H2,1-3H3,(H,16,19).
What are the key properties of N-(4-aminophenyl)-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide?
N-(4-aminophenyl)-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide has a molecular weight of 278.36 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide is sourced from PubChem (CID 43374573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).