N-(3-aminophenyl)-2-(N-methylanilino)acetamide

C15H17N3O — CID 16779401

IUPACN-(3-aminophenyl)-2-(N-methylanilino)acetamide
SMILESCN(CC(=O)Nc1cccc(N)c1)c1ccccc1
InChIInChI=1S/C15H17N3O/c1-18(14-8-3-2-4-9-14)11-15(19)17-13-7-5-6-12(16)10-13/h2-10H,11,16H2,1H3,(H,17,19)
InChIKeyMKMJOZXSMDJDDK-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.34
Rot. Bonds4

About N-(3-aminophenyl)-2-(N-methylanilino)acetamide

N-(3-aminophenyl)-2-(N-methylanilino)acetamide (PubChem CID 16779401) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(N-methylanilino)acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(N-methylanilino)acetamide
PubChem CID16779401
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(3-aminophenyl)-2-(N-methylanilino)acetamide
SMILESCN(CC(=O)Nc1cccc(N)c1)c1ccccc1
InChIInChI=1S/C15H17N3O/c1-18(14-8-3-2-4-9-14)11-15(19)17-13-7-5-6-12(16)10-13/h2-10H,11,16H2,1H3,(H,17,19)
InChIKeyMKMJOZXSMDJDDK-UHFFFAOYSA-N
XLogP2.34
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)-3-(N-methylanilino)propanamide
CID 16778596
N-(3-aminophenyl)-2-(N-ethylanilino)acetamide
CID 16790236
N-[3-[[2-(N-methylanilino)acetyl]amino]phenyl]butanamide
CID 54817881
2-(3-amino-N-methylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 166855505
N-(3-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 8689446
3-[[2-(3-aminoanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 82224717
2-(3-amino-N-methylanilino)-N-(4-fluorophenyl)acetamide
CID 61297875
2-(N-methylanilino)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 32735641
2-(N-methylanilino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8689679
N-[3-(benzylsulfonylmethyl)phenyl]-2-(N-methylanilino)acetamide
CID 86962162
2-(4-amino-N-methylanilino)-N-(3-methoxyphenyl)acetamide
CID 28894649
2-(3-amino-N-methylanilino)-N-(2-methylphenyl)acetamide
CID 61297509

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(N-methylanilino)acetamide?
The IUPAC name of N-(3-aminophenyl)-2-(N-methylanilino)acetamide (CID 16779401) is N-(3-aminophenyl)-2-(N-methylanilino)acetamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(N-methylanilino)acetamide?
The canonical SMILES for N-(3-aminophenyl)-2-(N-methylanilino)acetamide is CN(CC(=O)Nc1cccc(N)c1)c1ccccc1.
What is the InChIKey of N-(3-aminophenyl)-2-(N-methylanilino)acetamide?
The InChIKey is MKMJOZXSMDJDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-18(14-8-3-2-4-9-14)11-15(19)17-13-7-5-6-12(16)10-13/h2-10H,11,16H2,1H3,(H,17,19).
What are the key properties of N-(3-aminophenyl)-2-(N-methylanilino)acetamide?
N-(3-aminophenyl)-2-(N-methylanilino)acetamide has a molecular weight of 255.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-(N-methylanilino)acetamide is sourced from PubChem (CID 16779401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).