2-amino-N-[2-[3-[(4-methylphenyl)methyl]anilino]-2-oxoethyl]acetamide

C18H21N3O2 — CID 166762755

IUPAC2-amino-N-[2-[3-[(4-methylphenyl)methyl]anilino]-2-oxoethyl]acetamide
SMILESCc1ccc(Cc2cccc(NC(=O)CNC(=O)CN)c2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-5-7-14(8-6-13)9-15-3-2-4-16(10-15)21-18(23)12-20-17(22)11-19/h2-8,10H,9,11-12,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyIQAFLLBTPATTPT-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.60
Rot. Bonds6

About 2-amino-N-[2-[3-[(4-methylphenyl)methyl]anilino]-2-oxoethyl]acetamide

2-amino-N-[2-[3-[(4-methylphenyl)methyl]anilino]-2-oxoethyl]acetamide (PubChem CID 166762755) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-amino-N-[2-[3-[(4-methylphenyl)methyl]anilino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[3-[(4-methylphenyl)methyl]anilino]-2-oxoethyl]acetamide
PubChem CID166762755
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-amino-N-[2-[3-[(4-methylphenyl)methyl]anilino]-2-oxoethyl]acetamide
SMILESCc1ccc(Cc2cccc(NC(=O)CNC(=O)CN)c2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-5-7-14(8-6-13)9-15-3-2-4-16(10-15)21-18(23)12-20-17(22)11-19/h2-8,10H,9,11-12,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyIQAFLLBTPATTPT-UHFFFAOYSA-N
XLogP1.60
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]carbamate
CID 60927446
methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]benzoate
CID 61254044
N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]-2-methylpropanamide
CID 60851547
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 49335487
2-amino-N-[2-(3,5-dimethylanilino)-2-oxoethyl]acetamide
CID 60848808
N-(3-benzylphenyl)propanamide
CID 70797974
4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide
CID 119312070
4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide;hydrochloride
CID 119312069
N-(3-ethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24536492
1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea
CID 43245991
2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride
CID 119853176
2-amino-N-[2-[4-[(dimethylamino)methyl]anilino]-2-oxoethyl]acetamide
CID 54928469

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[3-[(4-methylphenyl)methyl]anilino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[3-[(4-methylphenyl)methyl]anilino]-2-oxoethyl]acetamide (CID 166762755) is 2-amino-N-[2-[3-[(4-methylphenyl)methyl]anilino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[3-[(4-methylphenyl)methyl]anilino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[3-[(4-methylphenyl)methyl]anilino]-2-oxoethyl]acetamide is Cc1ccc(Cc2cccc(NC(=O)CNC(=O)CN)c2)cc1.
What is the InChIKey of 2-amino-N-[2-[3-[(4-methylphenyl)methyl]anilino]-2-oxoethyl]acetamide?
The InChIKey is IQAFLLBTPATTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-5-7-14(8-6-13)9-15-3-2-4-16(10-15)21-18(23)12-20-17(22)11-19/h2-8,10H,9,11-12,19H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-amino-N-[2-[3-[(4-methylphenyl)methyl]anilino]-2-oxoethyl]acetamide?
2-amino-N-[2-[3-[(4-methylphenyl)methyl]anilino]-2-oxoethyl]acetamide has a molecular weight of 311.39 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[3-[(4-methylphenyl)methyl]anilino]-2-oxoethyl]acetamide is sourced from PubChem (CID 166762755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).