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

C13H20N4O2 — CID 43374496

IUPACN-(4-aminophenyl)-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
SMILESCNC(=O)CN(C)CCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C13H20N4O2/c1-15-13(19)9-17(2)8-7-12(18)16-11-5-3-10(14)4-6-11/h3-6H,7-9,14H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyMHPANKCXZHZJJH-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.28
Rot. Bonds6

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

N-(4-aminophenyl)-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide (PubChem CID 43374496) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
PubChem CID43374496
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(4-aminophenyl)-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
SMILESCNC(=O)CN(C)CCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C13H20N4O2/c1-15-13(19)9-17(2)8-7-12(18)16-11-5-3-10(14)4-6-11/h3-6H,7-9,14H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyMHPANKCXZHZJJH-UHFFFAOYSA-N
XLogP0.28
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.28
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'}

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Related Compounds

N-(4-aminophenyl)-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43374573
N-(4-aminophenyl)-2-[ethyl(methyl)amino]acetamide
CID 43263037
N-(4-aminophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 60890401
N-(4-aminophenyl)-3-[methyl(2-methylsulfonylethyl)amino]propanamide
CID 79844997
N-(4-aminophenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 65482728
N-(4-aminophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 43374598
3-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 106914665
N-(4-aminophenyl)-3-(dibutylamino)propanamide
CID 28982366
2-[(4-aminophenyl)methyl-methylamino]-N-(4-bromophenyl)acetamide
CID 43458291
N-(4-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide
CID 79383773
N-(4-aminophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43295413
2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43216434

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide?
The IUPAC name of N-(4-aminophenyl)-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide (CID 43374496) is N-(4-aminophenyl)-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-(4-aminophenyl)-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-(4-aminophenyl)-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide is CNC(=O)CN(C)CCC(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide?
The InChIKey is MHPANKCXZHZJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-15-13(19)9-17(2)8-7-12(18)16-11-5-3-10(14)4-6-11/h3-6H,7-9,14H2,1-2H3,(H,15,19)(H,16,18).
What are the key properties of N-(4-aminophenyl)-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide?
N-(4-aminophenyl)-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide has a molecular weight of 264.33 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 43374496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).