N-benzyl-2-(2-nitrophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide

C27H25N3O6 — CID 30343311

IUPACN-benzyl-2-(2-nitrophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])N(CCCNc1cc(=O)oc2ccccc12)Cc1ccccc1
InChIInChI=1S/C27H25N3O6/c31-26(19-35-25-14-7-5-12-23(25)30(33)34)29(18-20-9-2-1-3-10-20)16-8-15-28-22-17-27(32)36-24-13-6-4-11-21(22)24/h1-7,9-14,17,28H,8,15-16,18-19H2
InChIKeyHYNFRZLAMQUFFP-UHFFFAOYSA-N
MW487.51 g/mol
LogP4.61
Rot. Bonds11

About N-benzyl-2-(2-nitrophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide

N-benzyl-2-(2-nitrophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide (PubChem CID 30343311) has the molecular formula C27H25N3O6 and a molecular weight of 487.51 g/mol. Its IUPAC name is N-benzyl-2-(2-nitrophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-(2-nitrophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide
PubChem CID30343311
Molecular FormulaC27H25N3O6
Molecular Weight487.51 g/mol
Exact Mass487.17
IUPAC NameN-benzyl-2-(2-nitrophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])N(CCCNc1cc(=O)oc2ccccc12)Cc1ccccc1
InChIInChI=1S/C27H25N3O6/c31-26(19-35-25-14-7-5-12-23(25)30(33)34)29(18-20-9-2-1-3-10-20)16-8-15-28-22-17-27(32)36-24-13-6-4-11-21(22)24/h1-7,9-14,17,28H,8,15-16,18-19H2
InChIKeyHYNFRZLAMQUFFP-UHFFFAOYSA-N
XLogP4.61
TPSA114.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-benzyl-2-(2-nitrophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]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

N-benzyl-2-(4-fluorophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide
CID 30343292
N-benzyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide
CID 30343425
N-benzyl-2-chloro-4-nitro-N-[3-[(2-oxochromen-4-yl)amino]propyl]benzamide
CID 30343232
N-benzyl-2-methoxy-3-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]benzamide
CID 30343461
2-(2,4-dichlorophenoxy)-N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide
CID 30342976
N-ethyl-N-(3-hydroxypropyl)-2-(2-nitrophenoxy)acetamide
CID 115771500
N,N-dibenzyl-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23738451
N,4-dimethyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]pentanamide
CID 30343078
N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-2-(2-nitrophenoxy)acetamide
CID 17417729
N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]-4-propan-2-ylbenzamide
CID 30342817
N-(3-amino-3-oxopropyl)-N-benzyl-3-(2-nitroanilino)propanamide
CID 134033313
2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8960861

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-nitrophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide?
The IUPAC name of N-benzyl-2-(2-nitrophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide (CID 30343311) is N-benzyl-2-(2-nitrophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide.
What is the SMILES notation for N-benzyl-2-(2-nitrophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide?
The canonical SMILES for N-benzyl-2-(2-nitrophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide is O=C(COc1ccccc1[N+](=O)[O-])N(CCCNc1cc(=O)oc2ccccc12)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-(2-nitrophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide?
The InChIKey is HYNFRZLAMQUFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O6/c31-26(19-35-25-14-7-5-12-23(25)30(33)34)29(18-20-9-2-1-3-10-20)16-8-15-28-22-17-27(32)36-24-13-6-4-11-21(22)24/h1-7,9-14,17,28H,8,15-16,18-19H2.
What are the key properties of N-benzyl-2-(2-nitrophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide?
N-benzyl-2-(2-nitrophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide has a molecular weight of 487.51 g/mol, XLogP of 4.61, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-nitrophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide is sourced from PubChem (CID 30343311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).