3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-(3-methoxypropyl)benzamide

C21H27N3O4 — CID 54837826

IUPAC3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)CNCc2ccc(OC)cc2)c1
InChIInChI=1S/C21H27N3O4/c1-27-12-4-11-23-21(26)17-5-3-6-18(13-17)24-20(25)15-22-14-16-7-9-19(28-2)10-8-16/h3,5-10,13,22H,4,11-12,14-15H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyFAOKBUYBMFDWTG-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.19
Rot. Bonds11

About 3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-(3-methoxypropyl)benzamide

3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-(3-methoxypropyl)benzamide (PubChem CID 54837826) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-(3-methoxypropyl)benzamide
PubChem CID54837826
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)CNCc2ccc(OC)cc2)c1
InChIInChI=1S/C21H27N3O4/c1-27-12-4-11-23-21(26)17-5-3-6-18(13-17)24-20(25)15-22-14-16-7-9-19(28-2)10-8-16/h3,5-10,13,22H,4,11-12,14-15H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyFAOKBUYBMFDWTG-UHFFFAOYSA-N
XLogP2.19
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide
CID 54845454
N-(furan-2-ylmethyl)-3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]benzamide
CID 54837825
N-(3-methoxypropyl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 26160095
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54831834
N-(3-methoxypropyl)-4-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide
CID 54845211
3-[[2-(4-methoxyphenyl)acetyl]amino]-N-propylbenzamide
CID 17222629
3-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54817532
2-[(4-methoxyphenyl)methylamino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54837855
3-[[2-(3-methoxypropylamino)acetyl]amino]-N-methylbenzamide
CID 54829165
ethyl N-[3-(3-methoxypropylcarbamoyl)phenyl]carbamate
CID 29202825
3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54825060
2-[(4-methoxyphenyl)methylamino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54837978

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-(3-methoxypropyl)benzamide (CID 54837826) is 3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1cccc(NC(=O)CNCc2ccc(OC)cc2)c1.
What is the InChIKey of 3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-(3-methoxypropyl)benzamide?
The InChIKey is FAOKBUYBMFDWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-27-12-4-11-23-21(26)17-5-3-6-18(13-17)24-20(25)15-22-14-16-7-9-19(28-2)10-8-16/h3,5-10,13,22H,4,11-12,14-15H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-(3-methoxypropyl)benzamide?
3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-(3-methoxypropyl)benzamide has a molecular weight of 385.46 g/mol, XLogP of 2.19, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 54837826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).