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

C16H25N3O3 — CID 119332014

IUPACN-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCCCNC(=O)C1(N)CCCCC1
InChIInChI=1S/C16H25N3O3/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)
InChIKeyCJOUQHNSXRCLHD-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.49
Rot. Bonds6

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

N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide (PubChem CID 119332014) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide
PubChem CID119332014
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCCCNC(=O)C1(N)CCCCC1
InChIInChI=1S/C16H25N3O3/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)
InChIKeyCJOUQHNSXRCLHD-UHFFFAOYSA-N
XLogP1.49
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.49
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;hydrochloride
CID 119332013
N-(4-aminobutyl)-3-methylfuran-2-carboxamide
CID 60895762
N-[3-[(2-amino-2-methylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 119331995
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-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 120501389
2-[(3-methylfuran-2-carbonyl)amino]ethyl carbamate
CID 75483650
N-(3-acetamidopropyl)-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119290745
N-[3-[[amino-(cyclohexylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide
CID 111817799
3-methyl-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide
CID 24597403
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 119798351

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide (CID 119332014) is N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NCCCNC(=O)C1(N)CCCCC1.
What is the InChIKey of N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide?
The InChIKey is CJOUQHNSXRCLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/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).
What are the key properties of N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide?
N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.49, 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 is sourced from PubChem (CID 119332014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).