4-[(1-aminocyclopentanecarbonyl)amino]-N-(oxan-4-yl)benzamide

C18H25N3O3 — CID 119338734

IUPAC4-[(1-aminocyclopentanecarbonyl)amino]-N-(oxan-4-yl)benzamide
SMILESNC1(C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)CCCC1
InChIInChI=1S/C18H25N3O3/c19-18(9-1-2-10-18)17(23)21-14-5-3-13(4-6-14)16(22)20-15-7-11-24-12-8-15/h3-6,15H,1-2,7-12,19H2,(H,20,22)(H,21,23)
InChIKeyIDEYXDWPPDVBRA-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.81
Rot. Bonds4

About 4-[(1-aminocyclopentanecarbonyl)amino]-N-(oxan-4-yl)benzamide

4-[(1-aminocyclopentanecarbonyl)amino]-N-(oxan-4-yl)benzamide (PubChem CID 119338734) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-[(1-aminocyclopentanecarbonyl)amino]-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name4-[(1-aminocyclopentanecarbonyl)amino]-N-(oxan-4-yl)benzamide
PubChem CID119338734
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name4-[(1-aminocyclopentanecarbonyl)amino]-N-(oxan-4-yl)benzamide
SMILESNC1(C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)CCCC1
InChIInChI=1S/C18H25N3O3/c19-18(9-1-2-10-18)17(23)21-14-5-3-13(4-6-14)16(22)20-15-7-11-24-12-8-15/h3-6,15H,1-2,7-12,19H2,(H,20,22)(H,21,23)
InChIKeyIDEYXDWPPDVBRA-UHFFFAOYSA-N
XLogP1.81
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[4-(oxan-4-ylmethoxy)phenyl]cyclohexane-1-carboxamide
CID 119329322
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopentylbenzamide
CID 120786530
acetic acid;4-[[1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]methyl]-N-(oxan-4-yl)benzamide
CID 171712512
4-[(1-aminocyclohexanecarbonyl)amino]-N-(2-methylbutan-2-yl)benzamide
CID 119297478
1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopentane-1-carboxamide
CID 119890851
4-(2-aminopentanoylamino)-N-(oxan-4-yl)benzamide
CID 119338738
4-[(1-aminocyclopropanecarbonyl)amino]-N-methylbenzamide
CID 65466580
1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119261942
5-amino-2-methyl-N-[4-(oxan-4-ylcarbamoyl)phenyl]benzamide;hydrochloride
CID 120637133
4-[(Z)-N'-hydroxycarbamimidoyl]-N-(oxan-4-yl)benzamide
CID 43610520
2-[[4-[(1-aminocyclobutanecarbonyl)amino]benzoyl]amino]acetic acid
CID 81173192
4-[(2-amino-3-methylpentanoyl)amino]-N-(oxan-4-yl)benzamide;hydrochloride
CID 119810201

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclopentanecarbonyl)amino]-N-(oxan-4-yl)benzamide?
The IUPAC name of 4-[(1-aminocyclopentanecarbonyl)amino]-N-(oxan-4-yl)benzamide (CID 119338734) is 4-[(1-aminocyclopentanecarbonyl)amino]-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 4-[(1-aminocyclopentanecarbonyl)amino]-N-(oxan-4-yl)benzamide?
The canonical SMILES for 4-[(1-aminocyclopentanecarbonyl)amino]-N-(oxan-4-yl)benzamide is NC1(C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)CCCC1.
What is the InChIKey of 4-[(1-aminocyclopentanecarbonyl)amino]-N-(oxan-4-yl)benzamide?
The InChIKey is IDEYXDWPPDVBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c19-18(9-1-2-10-18)17(23)21-14-5-3-13(4-6-14)16(22)20-15-7-11-24-12-8-15/h3-6,15H,1-2,7-12,19H2,(H,20,22)(H,21,23).
What are the key properties of 4-[(1-aminocyclopentanecarbonyl)amino]-N-(oxan-4-yl)benzamide?
4-[(1-aminocyclopentanecarbonyl)amino]-N-(oxan-4-yl)benzamide has a molecular weight of 331.42 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclopentanecarbonyl)amino]-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 119338734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).