N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride

C16H26ClN3O3 — CID 119332013

IUPACN-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
SMILESCc1ccoc1C(=O)NCCCNC(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C16H25N3O3.ClH/c1-12-6-11-22-13(12)14(20)18-9-5-10-19-15(21)16(17)7-3-2-4-8-16;/h6,11H,2-5,7-10,17H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyLVBOEVHNMSKRJY-UHFFFAOYSA-N
MW343.86 g/mol
LogP1.91
Rot. Bonds6

About N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride

N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride (PubChem CID 119332013) has the molecular formula C16H26ClN3O3 and a molecular weight of 343.86 g/mol. Its IUPAC name is N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
PubChem CID119332013
Molecular FormulaC16H26ClN3O3
Molecular Weight343.86 g/mol
Exact Mass343.17
IUPAC NameN-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
SMILESCc1ccoc1C(=O)NCCCNC(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C16H25N3O3.ClH/c1-12-6-11-22-13(12)14(20)18-9-5-10-19-15(21)16(17)7-3-2-4-8-16;/h6,11H,2-5,7-10,17H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyLVBOEVHNMSKRJY-UHFFFAOYSA-N
XLogP1.91
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide
CID 119332014
N-(4-aminobutyl)-3-methylfuran-2-carboxamide
CID 60895762
N-[3-[(2-amino-2-methylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 119331995
N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 120501389
3-methyl-N-[3-[(N'-methylcarbamimidoyl)amino]propyl]furan-2-carboxamide;hydroiodide
CID 111439289
N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide
CID 120501390
N-(4-bromobutyl)-3-methylfuran-2-carboxamide
CID 106845761
N-(3-acetamidopropyl)-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119290745
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 119798351
1-amino-N-[3-(2-methylphenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119317018
5-[3-[(3-methylfuran-2-carbonyl)amino]propylcarbamoyl]thiophene-2-carboxylic acid
CID 119186184
N-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide;hydrochloride
CID 119278245

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride (CID 119332013) is N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride is Cc1ccoc1C(=O)NCCCNC(=O)C1(N)CCCCC1.Cl.
What is the InChIKey of N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride?
The InChIKey is LVBOEVHNMSKRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3.ClH/c1-12-6-11-22-13(12)14(20)18-9-5-10-19-15(21)16(17)7-3-2-4-8-16;/h6,11H,2-5,7-10,17H2,1H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride?
N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119332013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).