N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]benzamide

C15H22N4O — CID 111042727

IUPACN-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]benzamide
SMILESN/C(=N\CC1CCC1)NCCNC(=O)c1ccccc1
InChIInChI=1S/C15H22N4O/c16-15(19-11-12-5-4-6-12)18-10-9-17-14(20)13-7-2-1-3-8-13/h1-3,7-8,12H,4-6,9-11H2,(H,17,20)(H3,16,18,19)
InChIKeyONNAQQUSUHDBJV-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.12
Rot. Bonds6

About N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]benzamide

N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]benzamide (PubChem CID 111042727) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]benzamide
PubChem CID111042727
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]benzamide
SMILESN/C(=N\CC1CCC1)NCCNC(=O)c1ccccc1
InChIInChI=1S/C15H22N4O/c16-15(19-11-12-5-4-6-12)18-10-9-17-14(20)13-7-2-1-3-8-13/h1-3,7-8,12H,4-6,9-11H2,(H,17,20)(H3,16,18,19)
InChIKeyONNAQQUSUHDBJV-UHFFFAOYSA-N
XLogP1.12
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-4-hydroxybenzamide
CID 111061701
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111055623
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111055724
3-bromo-N-[3-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]propyl]benzamide;hydroiodide
CID 111094178
1-[2-(benzenesulfonyl)ethyl]-2-(cyclobutylmethyl)guanidine;hydroiodide
CID 111065129
1-[2-[benzyl(methyl)amino]ethyl]-2-(cyclobutylmethyl)guanidine
CID 111078743
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111027951
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111095014
2-(cyclobutylmethyl)-1-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 111083567
2-(cyclobutylmethyl)-1-[3-(2-phenylethoxy)propyl]guanidine
CID 111074333
2-(cyclobutylmethyl)-1-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 111083566
9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984907

Frequently Asked Questions

What is the IUPAC name of N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]benzamide?
The IUPAC name of N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]benzamide (CID 111042727) is N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]benzamide.
What is the SMILES notation for N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]benzamide?
The canonical SMILES for N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]benzamide is N/C(=N\CC1CCC1)NCCNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]benzamide?
The InChIKey is ONNAQQUSUHDBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c16-15(19-11-12-5-4-6-12)18-10-9-17-14(20)13-7-2-1-3-8-13/h1-3,7-8,12H,4-6,9-11H2,(H,17,20)(H3,16,18,19).
What are the key properties of N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]benzamide?
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]benzamide has a molecular weight of 274.37 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]benzamide is sourced from PubChem (CID 111042727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).