2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2-nitrophenyl)acetamide

C19H20N4O3 — CID 86866949

IUPAC2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2-nitrophenyl)acetamide
SMILESCC(C)N(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1
InChIInChI=1S/C19H20N4O3/c1-14(2)22(12-16-9-7-15(11-20)8-10-16)13-19(24)21-17-5-3-4-6-18(17)23(25)26/h3-10,14H,12-13H2,1-2H3,(H,21,24)
InChIKeyLPISEGQUKOEETP-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.32
Rot. Bonds7

About 2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2-nitrophenyl)acetamide

2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2-nitrophenyl)acetamide (PubChem CID 86866949) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2-nitrophenyl)acetamide
PubChem CID86866949
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2-nitrophenyl)acetamide
SMILESCC(C)N(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1
InChIInChI=1S/C19H20N4O3/c1-14(2)22(12-16-9-7-15(11-20)8-10-16)13-19(24)21-17-5-3-4-6-18(17)23(25)26/h3-10,14H,12-13H2,1-2H3,(H,21,24)
InChIKeyLPISEGQUKOEETP-UHFFFAOYSA-N
XLogP3.32
TPSA99.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-nitrophenyl)acetamide
CID 62014044
4-cyano-N-(2-nitrophenyl)benzamide
CID 103601565
2-cyano-N-(2-nitrophenyl)acetamide
CID 2792625
N-(2-cyanophenyl)-2-[ethyl(propan-2-yl)amino]acetamide
CID 43265776
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide
CID 3300746
4-[(2-nitroanilino)methyl]benzonitrile
CID 43718158
2-[[2-(2-nitroanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008367
N-(2-chlorophenyl)-2-[(4-cyanophenyl)methyl-propylamino]acetamide
CID 47056009
2-[ethyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetic acid
CID 61012422
2-[benzyl(propan-2-yl)amino]-N-(2-carbamothioylphenyl)acetamide
CID 39160595
2-[(3-fluorophenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide
CID 8961830

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2-nitrophenyl)acetamide (CID 86866949) is 2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2-nitrophenyl)acetamide is CC(C)N(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2-nitrophenyl)acetamide?
The InChIKey is LPISEGQUKOEETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-14(2)22(12-16-9-7-15(11-20)8-10-16)13-19(24)21-17-5-3-4-6-18(17)23(25)26/h3-10,14H,12-13H2,1-2H3,(H,21,24).
What are the key properties of 2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2-nitrophenyl)acetamide?
2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2-nitrophenyl)acetamide has a molecular weight of 352.39 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 86866949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).