N-[4-[(3-aminocyclopentanecarbonyl)amino]-2,5-dimethoxyphenyl]benzamide

C21H25N3O4 — CID 119679316

IUPACN-[4-[(3-aminocyclopentanecarbonyl)amino]-2,5-dimethoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)C2CCC(N)C2)c(OC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C21H25N3O4/c1-27-18-12-17(24-21(26)14-8-9-15(22)10-14)19(28-2)11-16(18)23-20(25)13-6-4-3-5-7-13/h3-7,11-12,14-15H,8-10,22H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyUHSHHUKQXQAMCU-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.02
Rot. Bonds6

About N-[4-[(3-aminocyclopentanecarbonyl)amino]-2,5-dimethoxyphenyl]benzamide

N-[4-[(3-aminocyclopentanecarbonyl)amino]-2,5-dimethoxyphenyl]benzamide (PubChem CID 119679316) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[4-[(3-aminocyclopentanecarbonyl)amino]-2,5-dimethoxyphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(3-aminocyclopentanecarbonyl)amino]-2,5-dimethoxyphenyl]benzamide
PubChem CID119679316
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[4-[(3-aminocyclopentanecarbonyl)amino]-2,5-dimethoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)C2CCC(N)C2)c(OC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C21H25N3O4/c1-27-18-12-17(24-21(26)14-8-9-15(22)10-14)19(28-2)11-16(18)23-20(25)13-6-4-3-5-7-13/h3-7,11-12,14-15H,8-10,22H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyUHSHHUKQXQAMCU-UHFFFAOYSA-N
XLogP3.02
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-N-(4-benzamido-2,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120617088
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
3-[(3-aminocyclopentanecarbonyl)amino]-4-methoxy-N-methylbenzamide
CID 119714004
3-amino-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide
CID 66009354
3-amino-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide
CID 104848920
3-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119779701
N-[4-(fluoroamino)-2,5-dimethoxyphenyl]benzamide
CID 142075014
N-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride
CID 119791343
N-(4-acetamido-3-methoxyphenyl)-3-aminocyclopentane-1-carboxamide
CID 66030500
3-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
CID 119866742
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
3-amino-N-(2-iodophenyl)cyclopentane-1-carboxamide
CID 66030489

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-aminocyclopentanecarbonyl)amino]-2,5-dimethoxyphenyl]benzamide?
The IUPAC name of N-[4-[(3-aminocyclopentanecarbonyl)amino]-2,5-dimethoxyphenyl]benzamide (CID 119679316) is N-[4-[(3-aminocyclopentanecarbonyl)amino]-2,5-dimethoxyphenyl]benzamide.
What is the SMILES notation for N-[4-[(3-aminocyclopentanecarbonyl)amino]-2,5-dimethoxyphenyl]benzamide?
The canonical SMILES for N-[4-[(3-aminocyclopentanecarbonyl)amino]-2,5-dimethoxyphenyl]benzamide is COc1cc(NC(=O)C2CCC(N)C2)c(OC)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[(3-aminocyclopentanecarbonyl)amino]-2,5-dimethoxyphenyl]benzamide?
The InChIKey is UHSHHUKQXQAMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-27-18-12-17(24-21(26)14-8-9-15(22)10-14)19(28-2)11-16(18)23-20(25)13-6-4-3-5-7-13/h3-7,11-12,14-15H,8-10,22H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[(3-aminocyclopentanecarbonyl)amino]-2,5-dimethoxyphenyl]benzamide?
N-[4-[(3-aminocyclopentanecarbonyl)amino]-2,5-dimethoxyphenyl]benzamide has a molecular weight of 383.45 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-aminocyclopentanecarbonyl)amino]-2,5-dimethoxyphenyl]benzamide is sourced from PubChem (CID 119679316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).