2-[5-[formyl(phenylmethoxy)amino]hexanoylamino]benzamide

C21H25N3O4 — CID 90833679

IUPAC2-[5-[formyl(phenylmethoxy)amino]hexanoylamino]benzamide
SMILESCC(CCCC(=O)Nc1ccccc1C(N)=O)N(C=O)OCc1ccccc1
InChIInChI=1S/C21H25N3O4/c1-16(24(15-25)28-14-17-9-3-2-4-10-17)8-7-13-20(26)23-19-12-6-5-11-18(19)21(22)27/h2-6,9-12,15-16H,7-8,13-14H2,1H3,(H2,22,27)(H,23,26)
InChIKeyNSSYPQLTLUJVPI-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.87
Rot. Bonds11

About 2-[5-[formyl(phenylmethoxy)amino]hexanoylamino]benzamide

2-[5-[formyl(phenylmethoxy)amino]hexanoylamino]benzamide (PubChem CID 90833679) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[5-[formyl(phenylmethoxy)amino]hexanoylamino]benzamide.

Molecular Properties

Compound Name2-[5-[formyl(phenylmethoxy)amino]hexanoylamino]benzamide
PubChem CID90833679
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name2-[5-[formyl(phenylmethoxy)amino]hexanoylamino]benzamide
SMILESCC(CCCC(=O)Nc1ccccc1C(N)=O)N(C=O)OCc1ccccc1
InChIInChI=1S/C21H25N3O4/c1-16(24(15-25)28-14-17-9-3-2-4-10-17)8-7-13-20(26)23-19-12-6-5-11-18(19)21(22)27/h2-6,9-12,15-16H,7-8,13-14H2,1H3,(H2,22,27)(H,23,26)
InChIKeyNSSYPQLTLUJVPI-UHFFFAOYSA-N
XLogP2.87
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[5-[formyl(phenylmethoxy)amino]hexanoylamino]benzamide 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-(4-aminopentanoylamino)benzamide;hydrochloride
CID 120558709
2-(7-chloroheptanoylamino)benzamide
CID 139930503
benzyl N-[4-[2-(dimethylcarbamoyl)anilino]-4-oxobutyl]carbamate
CID 55872499
2-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119673012
2-(3-aminopropanoylamino)benzamide
CID 22692052
(4S)-4-[formyl(phenylmethoxy)amino]-5-oxo-5-phenylmethoxypentanoic acid
CID 97050480
(2S)-2-[2-(2-carbamoylanilino)-2-oxoethoxy]propanoic acid
CID 104875798
5-amino-N-[2-(dimethylamino)phenyl]hexanamide
CID 82847991
2-[[2-(2-carbamoylanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838809
3-[formyl(phenylmethoxy)amino]-2-(2-phenylethyl)pentanoic acid
CID 123848169
2-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]benzamide
CID 78814473
[[(2R)-2-[(1R)-1-[formyl(phenylmethoxy)amino]propyl]heptanoyl]amino]methylcarbamic acid
CID 122699028

Frequently Asked Questions

What is the IUPAC name of 2-[5-[formyl(phenylmethoxy)amino]hexanoylamino]benzamide?
The IUPAC name of 2-[5-[formyl(phenylmethoxy)amino]hexanoylamino]benzamide (CID 90833679) is 2-[5-[formyl(phenylmethoxy)amino]hexanoylamino]benzamide.
What is the SMILES notation for 2-[5-[formyl(phenylmethoxy)amino]hexanoylamino]benzamide?
The canonical SMILES for 2-[5-[formyl(phenylmethoxy)amino]hexanoylamino]benzamide is CC(CCCC(=O)Nc1ccccc1C(N)=O)N(C=O)OCc1ccccc1.
What is the InChIKey of 2-[5-[formyl(phenylmethoxy)amino]hexanoylamino]benzamide?
The InChIKey is NSSYPQLTLUJVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-16(24(15-25)28-14-17-9-3-2-4-10-17)8-7-13-20(26)23-19-12-6-5-11-18(19)21(22)27/h2-6,9-12,15-16H,7-8,13-14H2,1H3,(H2,22,27)(H,23,26).
What are the key properties of 2-[5-[formyl(phenylmethoxy)amino]hexanoylamino]benzamide?
2-[5-[formyl(phenylmethoxy)amino]hexanoylamino]benzamide has a molecular weight of 383.45 g/mol, XLogP of 2.87, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[formyl(phenylmethoxy)amino]hexanoylamino]benzamide is sourced from PubChem (CID 90833679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).