N-cyclohexyl-3-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]propanamide

C15H28N4O2 — CID 110917892

IUPACN-cyclohexyl-3-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]propanamide
SMILESN/C(=N\CC1CCCO1)NCCC(=O)NC1CCCCC1
InChIInChI=1S/C15H28N4O2/c16-15(18-11-13-7-4-10-21-13)17-9-8-14(20)19-12-5-2-1-3-6-12/h12-13H,1-11H2,(H,19,20)(H3,16,17,18)
InChIKeyCXCDNYJCQDFUTK-UHFFFAOYSA-N
MW296.42 g/mol
LogP0.91
Rot. Bonds6

About N-cyclohexyl-3-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]propanamide

N-cyclohexyl-3-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]propanamide (PubChem CID 110917892) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-cyclohexyl-3-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]propanamide
PubChem CID110917892
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC NameN-cyclohexyl-3-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]propanamide
SMILESN/C(=N\CC1CCCO1)NCCC(=O)NC1CCCCC1
InChIInChI=1S/C15H28N4O2/c16-15(18-11-13-7-4-10-21-13)17-9-8-14(20)19-12-5-2-1-3-6-12/h12-13H,1-11H2,(H,19,20)(H3,16,17,18)
InChIKeyCXCDNYJCQDFUTK-UHFFFAOYSA-N
XLogP0.91
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-morpholin-4-yl-3-oxopropyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 119118044
N-[3-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752321
N-cyclohexyl-3-[[N'-(2-methylpropyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111075434
N-cyclohexyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111075498
3-(carbamoylamino)-N-cyclohexylpropanamide
CID 47116358
N-cyclopentyl-3-[(N'-octylcarbamimidoyl)amino]propanamide
CID 111079277
2-(4-fluorophenyl)-N-[2-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]ethyl]acetamide
CID 110916851
1-[2-(4-hydroxyoxan-4-yl)ethyl]-2-(oxolan-2-ylmethyl)guanidine
CID 120973129
4-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111066146
N-[3-(cyclohexylamino)-3-oxopropyl]morpholine-2-carboxamide;hydrochloride
CID 119741950
N-cyclooctyl-2-(oxolan-2-ylmethylamino)acetamide
CID 119674119
1-cyclopentyl-3-ethyl-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 110991164

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]propanamide?
The IUPAC name of N-cyclohexyl-3-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]propanamide (CID 110917892) is N-cyclohexyl-3-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]propanamide?
The canonical SMILES for N-cyclohexyl-3-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]propanamide is N/C(=N\CC1CCCO1)NCCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]propanamide?
The InChIKey is CXCDNYJCQDFUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c16-15(18-11-13-7-4-10-21-13)17-9-8-14(20)19-12-5-2-1-3-6-12/h12-13H,1-11H2,(H,19,20)(H3,16,17,18).
What are the key properties of N-cyclohexyl-3-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]propanamide?
N-cyclohexyl-3-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]propanamide has a molecular weight of 296.42 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]propanamide is sourced from PubChem (CID 110917892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).