2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide

C19H25N3O — CID 119831753

IUPAC2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
SMILESCCN(CCNC(=O)Cc1ccc(N)cc1)c1cccc(C)c1
InChIInChI=1S/C19H25N3O/c1-3-22(18-6-4-5-15(2)13-18)12-11-21-19(23)14-16-7-9-17(20)10-8-16/h4-10,13H,3,11-12,14,20H2,1-2H3,(H,21,23)
InChIKeyHGABHKSHKBGAED-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.76
Rot. Bonds7

About 2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide

2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide (PubChem CID 119831753) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
PubChem CID119831753
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
SMILESCCN(CCNC(=O)Cc1ccc(N)cc1)c1cccc(C)c1
InChIInChI=1S/C19H25N3O/c1-3-22(18-6-4-5-15(2)13-18)12-11-21-19(23)14-16-7-9-17(20)10-8-16/h4-10,13H,3,11-12,14,20H2,1-2H3,(H,21,23)
InChIKeyHGABHKSHKBGAED-UHFFFAOYSA-N
XLogP2.76
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.76
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-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide;dihydrochloride
CID 119831786
4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide
CID 120564241
N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide
CID 51151803
N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
CID 109016337
N-[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]furan-2-carboxamide
CID 5007053
N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(4-methoxyphenyl)propanamide
CID 46654393
N-[2-(N-ethyl-3-methylanilino)ethyl]furan-2-carboxamide
CID 51193709
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 47018637
2-(3,5-dimethylpyrazolidin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 133108304
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 46684568
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
1-(2,6-diethylphenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
CID 3741166

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide (CID 119831753) is 2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide is CCN(CCNC(=O)Cc1ccc(N)cc1)c1cccc(C)c1.
What is the InChIKey of 2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide?
The InChIKey is HGABHKSHKBGAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-3-22(18-6-4-5-15(2)13-18)12-11-21-19(23)14-16-7-9-17(20)10-8-16/h4-10,13H,3,11-12,14,20H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide?
2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide has a molecular weight of 311.43 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide is sourced from PubChem (CID 119831753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).