N-benzyl-3-(2-nitroanilino)-N-propan-2-ylpropanamide

C19H23N3O3 — CID 24628021

IUPACN-benzyl-3-(2-nitroanilino)-N-propan-2-ylpropanamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CCNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H23N3O3/c1-15(2)21(14-16-8-4-3-5-9-16)19(23)12-13-20-17-10-6-7-11-18(17)22(24)25/h3-11,15,20H,12-14H2,1-2H3
InChIKeyKKVKHTAMUDHJPZ-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.83
Rot. Bonds8

About N-benzyl-3-(2-nitroanilino)-N-propan-2-ylpropanamide

N-benzyl-3-(2-nitroanilino)-N-propan-2-ylpropanamide (PubChem CID 24628021) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-benzyl-3-(2-nitroanilino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(2-nitroanilino)-N-propan-2-ylpropanamide
PubChem CID24628021
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-benzyl-3-(2-nitroanilino)-N-propan-2-ylpropanamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CCNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H23N3O3/c1-15(2)21(14-16-8-4-3-5-9-16)19(23)12-13-20-17-10-6-7-11-18(17)22(24)25/h3-11,15,20H,12-14H2,1-2H3
InChIKeyKKVKHTAMUDHJPZ-UHFFFAOYSA-N
XLogP3.83
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-benzyl-3-(2-methylanilino)-N-propan-2-ylpropanamide
CID 109031682
N-(3-amino-3-oxopropyl)-N-benzyl-3-(2-nitroanilino)propanamide
CID 134033313
3-[[2-(2-nitroanilino)acetyl]-propan-2-ylamino]propanoic acid
CID 119206749
3-methyl-2-[3-(2-nitroanilino)propanoylamino]butanoic acid
CID 119169891
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-3-(2-nitroanilino)propanamide
CID 51328603
N-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide
CID 62833900
N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961
2-methylidene-4-(2-nitroanilino)butanoic acid
CID 23139707
N-(3-methylbutyl)-2-nitroaniline
CID 21476259
N-benzyl-3-(5-chloro-2-methoxyanilino)-N-propan-2-ylpropanamide
CID 109031714
N-benzyl-3-(1-phenylethylamino)-N-propan-2-ylpropanamide
CID 109020269
N-[2-(2-nitroanilino)ethyl]-3-phenylpropanamide
CID 9278055

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-nitroanilino)-N-propan-2-ylpropanamide?
The IUPAC name of N-benzyl-3-(2-nitroanilino)-N-propan-2-ylpropanamide (CID 24628021) is N-benzyl-3-(2-nitroanilino)-N-propan-2-ylpropanamide.
What is the SMILES notation for N-benzyl-3-(2-nitroanilino)-N-propan-2-ylpropanamide?
The canonical SMILES for N-benzyl-3-(2-nitroanilino)-N-propan-2-ylpropanamide is CC(C)N(Cc1ccccc1)C(=O)CCNc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-benzyl-3-(2-nitroanilino)-N-propan-2-ylpropanamide?
The InChIKey is KKVKHTAMUDHJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-15(2)21(14-16-8-4-3-5-9-16)19(23)12-13-20-17-10-6-7-11-18(17)22(24)25/h3-11,15,20H,12-14H2,1-2H3.
What are the key properties of N-benzyl-3-(2-nitroanilino)-N-propan-2-ylpropanamide?
N-benzyl-3-(2-nitroanilino)-N-propan-2-ylpropanamide has a molecular weight of 341.41 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-nitroanilino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 24628021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).