4-decyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopropyl]benzamide

C21H33N3O2 — CID 123533155

IUPAC4-decyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopropyl]benzamide
SMILESCCCCCCCCCCc1ccc(C(=O)NC2(C(N)=NO)CC2)cc1
InChIInChI=1S/C21H33N3O2/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)19(25)23-21(15-16-21)20(22)24-26/h11-14,26H,2-10,15-16H2,1H3,(H2,22,24)(H,23,25)
InChIKeyVPWUWWKQEPKJIN-UHFFFAOYSA-N
MW359.51 g/mol
LogP4.38
Rot. Bonds12

About 4-decyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopropyl]benzamide

4-decyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopropyl]benzamide (PubChem CID 123533155) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 4-decyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name4-decyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopropyl]benzamide
PubChem CID123533155
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name4-decyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopropyl]benzamide
SMILESCCCCCCCCCCc1ccc(C(=O)NC2(C(N)=NO)CC2)cc1
InChIInChI=1S/C21H33N3O2/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)19(25)23-21(15-16-21)20(22)24-26/h11-14,26H,2-10,15-16H2,1H3,(H2,22,24)(H,23,25)
InChIKeyVPWUWWKQEPKJIN-UHFFFAOYSA-N
XLogP4.38
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-decyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopropyl]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

4-hexadecyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopropyl]benzamide
CID 123182147
N-(1-carbamimidoylcyclopropyl)-4-undecylbenzamide
CID 129231652
4-[7-(1-adamantylmethoxy)heptyl]-N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropyl]benzamide
CID 129231663
N'-hydroxy-1-[2-(4-undecylphenyl)acetyl]cyclopropane-1-carboximidamide
CID 172982355
[(4-hexylbenzoyl)amino]thiourea
CID 86158248
4-octylbenzamide;hydrochloride
CID 131740255
1-[[4-[4-[3-(4-butylphenyl)-2-oxopropyl]phenyl]benzoyl]amino]cyclopropane-1-carboxylic acid
CID 59150884
[(4-pentylbenzoyl)amino]thiourea
CID 2743438
4-pentylbenzoyl bromide
CID 87349955
N-(2-amino-2-iminoethyl)-4-octylbenzamide
CID 44544128
N-[2-(1-cyanocyclopropyl)-2-oxoethyl]-4-dodecylbenzamide
CID 161223687
N'-dodecanoyl-4-heptylbenzohydrazide
CID 3103832

Frequently Asked Questions

What is the IUPAC name of 4-decyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopropyl]benzamide?
The IUPAC name of 4-decyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopropyl]benzamide (CID 123533155) is 4-decyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopropyl]benzamide.
What is the SMILES notation for 4-decyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopropyl]benzamide?
The canonical SMILES for 4-decyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopropyl]benzamide is CCCCCCCCCCc1ccc(C(=O)NC2(C(N)=NO)CC2)cc1.
What is the InChIKey of 4-decyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopropyl]benzamide?
The InChIKey is VPWUWWKQEPKJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)19(25)23-21(15-16-21)20(22)24-26/h11-14,26H,2-10,15-16H2,1H3,(H2,22,24)(H,23,25).
What are the key properties of 4-decyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopropyl]benzamide?
4-decyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopropyl]benzamide has a molecular weight of 359.51 g/mol, XLogP of 4.38, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopropyl]benzamide is sourced from PubChem (CID 123533155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).