N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-4-hydroxybenzamide

C15H22N4O2 — CID 111061701

IUPACN-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-4-hydroxybenzamide
SMILESN/C(=N\CC1CCC1)NCCNC(=O)c1ccc(O)cc1
InChIInChI=1S/C15H22N4O2/c16-15(19-10-11-2-1-3-11)18-9-8-17-14(21)12-4-6-13(20)7-5-12/h4-7,11,20H,1-3,8-10H2,(H,17,21)(H3,16,18,19)
InChIKeyNIVDQQFBIZODKK-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.83
Rot. Bonds6

About N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-4-hydroxybenzamide

N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-4-hydroxybenzamide (PubChem CID 111061701) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-4-hydroxybenzamide
PubChem CID111061701
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-4-hydroxybenzamide
SMILESN/C(=N\CC1CCC1)NCCNC(=O)c1ccc(O)cc1
InChIInChI=1S/C15H22N4O2/c16-15(19-10-11-2-1-3-11)18-9-8-17-14(21)12-4-6-13(20)7-5-12/h4-7,11,20H,1-3,8-10H2,(H,17,21)(H3,16,18,19)
InChIKeyNIVDQQFBIZODKK-UHFFFAOYSA-N
XLogP0.83
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.83
H-Bond Donors ≤ 54
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'}

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Related Compounds

N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]benzamide
CID 111042727
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111055724
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111055623
3-bromo-N-[3-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]propyl]benzamide;hydroiodide
CID 111094178
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111027951
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111095014
N-[3-[(2-cyclopentylacetyl)amino]propyl]-4-hydroxybenzamide
CID 100669857
2-(cyclobutylmethyl)-1-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 111083567
1-[2-(benzenesulfonyl)ethyl]-2-(cyclobutylmethyl)guanidine;hydroiodide
CID 111065129
2-(cyclobutylmethyl)-1-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 111083566
2-(cyclobutylmethyl)-1-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111079562
1-[2-[benzyl(methyl)amino]ethyl]-2-(cyclobutylmethyl)guanidine
CID 111078743

Frequently Asked Questions

What is the IUPAC name of N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-4-hydroxybenzamide?
The IUPAC name of N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-4-hydroxybenzamide (CID 111061701) is N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-4-hydroxybenzamide.
What is the SMILES notation for N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-4-hydroxybenzamide?
The canonical SMILES for N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-4-hydroxybenzamide is N/C(=N\CC1CCC1)NCCNC(=O)c1ccc(O)cc1.
What is the InChIKey of N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-4-hydroxybenzamide?
The InChIKey is NIVDQQFBIZODKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c16-15(19-10-11-2-1-3-11)18-9-8-17-14(21)12-4-6-13(20)7-5-12/h4-7,11,20H,1-3,8-10H2,(H,17,21)(H3,16,18,19).
What are the key properties of N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-4-hydroxybenzamide?
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-4-hydroxybenzamide has a molecular weight of 290.37 g/mol, XLogP of 0.83, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-4-hydroxybenzamide is sourced from PubChem (CID 111061701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).