N-butyl-4-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]benzamide

C18H25N3O2 — CID 71919386

IUPACN-butyl-4-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]benzamide
SMILESCCCCNC(=O)c1ccc(CNC(=O)NC2CC=CC2)cc1
InChIInChI=1S/C18H25N3O2/c1-2-3-12-19-17(22)15-10-8-14(9-11-15)13-20-18(23)21-16-6-4-5-7-16/h4-5,8-11,16H,2-3,6-7,12-13H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyQXRZTRXEIXMPBT-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.73
Rot. Bonds7

About N-butyl-4-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]benzamide

N-butyl-4-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]benzamide (PubChem CID 71919386) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-butyl-4-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-butyl-4-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]benzamide
PubChem CID71919386
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-butyl-4-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]benzamide
SMILESCCCCNC(=O)c1ccc(CNC(=O)NC2CC=CC2)cc1
InChIInChI=1S/C18H25N3O2/c1-2-3-12-19-17(22)15-10-8-14(9-11-15)13-20-18(23)21-16-6-4-5-7-16/h4-5,8-11,16H,2-3,6-7,12-13H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyQXRZTRXEIXMPBT-UHFFFAOYSA-N
XLogP2.73
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-butylbenzamide;hydrochloride
CID 119295324
N-[[4-(butylcarbamoyl)phenyl]methyl]-5-chlorofuran-2-carboxamide
CID 86986285
N-butyl-4-[[[N-(1,1-dioxothiolan-3-yl)-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111141841
(2S)-N-[[4-(butylcarbamoyl)phenyl]methyl]-2-methylthiolane-2-carboxamide
CID 97228546
N-butyl-4-[[(N'-methyl-N-propylcarbamimidoyl)amino]methyl]benzamide;hydroiodide
CID 111227694
4-[(2-methylhydrazinyl)methyl]-N-pentylbenzamide
CID 54400286
1-N-butyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051077
N-butyl-4-[[[N'-methyl-N-(1-propylpiperidin-4-yl)carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111017866
N-butyl-4-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride
CID 119734312
N-butyl-4-[[[N-[(4-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111232783
N-pentyl-4-propylbenzamide
CID 70894308
5-bromo-N-[4-[[4-(butylcarbamoyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 112841943

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]benzamide?
The IUPAC name of N-butyl-4-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]benzamide (CID 71919386) is N-butyl-4-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]benzamide.
What is the SMILES notation for N-butyl-4-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]benzamide?
The canonical SMILES for N-butyl-4-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]benzamide is CCCCNC(=O)c1ccc(CNC(=O)NC2CC=CC2)cc1.
What is the InChIKey of N-butyl-4-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]benzamide?
The InChIKey is QXRZTRXEIXMPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-2-3-12-19-17(22)15-10-8-14(9-11-15)13-20-18(23)21-16-6-4-5-7-16/h4-5,8-11,16H,2-3,6-7,12-13H2,1H3,(H,19,22)(H2,20,21,23).
What are the key properties of N-butyl-4-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]benzamide?
N-butyl-4-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]benzamide has a molecular weight of 315.42 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]benzamide is sourced from PubChem (CID 71919386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).