N-(3-amino-3-oxopropyl)-N-benzyl-3-(2-nitroanilino)propanamide

C19H22N4O4 — CID 134033313

IUPACN-(3-amino-3-oxopropyl)-N-benzyl-3-(2-nitroanilino)propanamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)CCNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H22N4O4/c20-18(24)11-13-22(14-15-6-2-1-3-7-15)19(25)10-12-21-16-8-4-5-9-17(16)23(26)27/h1-9,21H,10-14H2,(H2,20,24)
InChIKeyYPFVVSODGNLKKR-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.30
Rot. Bonds10

About N-(3-amino-3-oxopropyl)-N-benzyl-3-(2-nitroanilino)propanamide

N-(3-amino-3-oxopropyl)-N-benzyl-3-(2-nitroanilino)propanamide (PubChem CID 134033313) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-N-benzyl-3-(2-nitroanilino)propanamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-N-benzyl-3-(2-nitroanilino)propanamide
PubChem CID134033313
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC NameN-(3-amino-3-oxopropyl)-N-benzyl-3-(2-nitroanilino)propanamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)CCNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H22N4O4/c20-18(24)11-13-22(14-15-6-2-1-3-7-15)19(25)10-12-21-16-8-4-5-9-17(16)23(26)27/h1-9,21H,10-14H2,(H2,20,24)
InChIKeyYPFVVSODGNLKKR-UHFFFAOYSA-N
XLogP2.30
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-3-(2-nitroanilino)propanamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-3-(2-nitroanilino)propanamide (CID 134033313) is N-(3-amino-3-oxopropyl)-N-benzyl-3-(2-nitroanilino)propanamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-N-benzyl-3-(2-nitroanilino)propanamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-N-benzyl-3-(2-nitroanilino)propanamide is NC(=O)CCN(Cc1ccccc1)C(=O)CCNc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(3-amino-3-oxopropyl)-N-benzyl-3-(2-nitroanilino)propanamide?
The InChIKey is YPFVVSODGNLKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c20-18(24)11-13-22(14-15-6-2-1-3-7-15)19(25)10-12-21-16-8-4-5-9-17(16)23(26)27/h1-9,21H,10-14H2,(H2,20,24).
What are the key properties of N-(3-amino-3-oxopropyl)-N-benzyl-3-(2-nitroanilino)propanamide?
N-(3-amino-3-oxopropyl)-N-benzyl-3-(2-nitroanilino)propanamide has a molecular weight of 370.41 g/mol, XLogP of 2.30, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-N-benzyl-3-(2-nitroanilino)propanamide is sourced from PubChem (CID 134033313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).