N-methyl-N-[(2-nitrophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide

C20H24N2O3 — CID 112832707

IUPACN-methyl-N-[(2-nitrophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(CCC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C20H24N2O3/c1-15(2)17-11-8-16(9-12-17)10-13-20(23)21(3)14-18-6-4-5-7-19(18)22(24)25/h4-9,11-12,15H,10,13-14H2,1-3H3
InChIKeyILQQYIBOKREGSA-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.31
Rot. Bonds7

About N-methyl-N-[(2-nitrophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide

N-methyl-N-[(2-nitrophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide (PubChem CID 112832707) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-methyl-N-[(2-nitrophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[(2-nitrophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide
PubChem CID112832707
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-methyl-N-[(2-nitrophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(CCC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C20H24N2O3/c1-15(2)17-11-8-16(9-12-17)10-13-20(23)21(3)14-18-6-4-5-7-19(18)22(24)25/h4-9,11-12,15H,10,13-14H2,1-3H3
InChIKeyILQQYIBOKREGSA-UHFFFAOYSA-N
XLogP4.31
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pentanamide
CID 79200307
N-methyl-N-[(2-nitrophenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60945755
N-methyl-N-[(2-nitrophenyl)methyl]-2-propan-2-yloxyacetamide
CID 112686813
N-methyl-N-(2-methylpropyl)-2-(2-nitrophenyl)acetamide
CID 134058659
4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(2-nitrophenyl)methyl]butanamide
CID 66679326
3-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
CID 61117836
2-amino-N,3-dimethyl-N-[(2-nitrophenyl)methyl]pentanamide
CID 60945232
2-[2-[methyl-[(2-nitrophenyl)methyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 115586778
N-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide
CID 46413108
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(2-nitrophenyl)acetate
CID 9344257
4-amino-N,2-dimethyl-N-[(2-nitrophenyl)methyl]butanamide
CID 80542921
4-(acetamidomethyl)-N-methyl-N-[(2-nitrophenyl)methyl]benzamide
CID 46412770

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-nitrophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of N-methyl-N-[(2-nitrophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide (CID 112832707) is N-methyl-N-[(2-nitrophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for N-methyl-N-[(2-nitrophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for N-methyl-N-[(2-nitrophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(CCC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-methyl-N-[(2-nitrophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide?
The InChIKey is ILQQYIBOKREGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(2)17-11-8-16(9-12-17)10-13-20(23)21(3)14-18-6-4-5-7-19(18)22(24)25/h4-9,11-12,15H,10,13-14H2,1-3H3.
What are the key properties of N-methyl-N-[(2-nitrophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide?
N-methyl-N-[(2-nitrophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide has a molecular weight of 340.42 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-nitrophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 112832707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).