N-[4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-4-oxobutyl]furan-2-carboxamide

C19H30N2O3 — CID 86998394

IUPACN-[4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-4-oxobutyl]furan-2-carboxamide
SMILESCC1CCC(C(C)C)C(NC(=O)CCCNC(=O)c2ccco2)C1
InChIInChI=1S/C19H30N2O3/c1-13(2)15-9-8-14(3)12-16(15)21-18(22)7-4-10-20-19(23)17-6-5-11-24-17/h5-6,11,13-16H,4,7-10,12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyCLWZLMSMGNZVSY-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.37
Rot. Bonds7

About N-[4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-4-oxobutyl]furan-2-carboxamide

N-[4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-4-oxobutyl]furan-2-carboxamide (PubChem CID 86998394) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-4-oxobutyl]furan-2-carboxamide
PubChem CID86998394
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-[4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-4-oxobutyl]furan-2-carboxamide
SMILESCC1CCC(C(C)C)C(NC(=O)CCCNC(=O)c2ccco2)C1
InChIInChI=1S/C19H30N2O3/c1-13(2)15-9-8-14(3)12-16(15)21-18(22)7-4-10-20-19(23)17-6-5-11-24-17/h5-6,11,13-16H,4,7-10,12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyCLWZLMSMGNZVSY-UHFFFAOYSA-N
XLogP3.37
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 24633715
N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 43418787
N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutyl]furan-2-carboxamide
CID 79030673
N-[4-[(2-cyclopropyl-2-hydroxyethyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 63294741
ethyl 2-[4-(furan-2-carbonylamino)butanoylamino]propanoate
CID 61343133
N-[2-[(3-methylcyclohexyl)amino]ethyl]furan-2-carboxamide
CID 3156886
N-[2-[[(1S,3S)-3-methylcyclohexyl]amino]ethyl]furan-2-carboxamide
CID 7256034
2-[4-(furan-2-carbonylamino)butanoylamino]-3-methylbutanoic acid
CID 43353978
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840
N-[4-[4-(4-methylpiperidin-1-yl)anilino]-4-oxobutyl]furan-2-carboxamide
CID 55389157
N-[2-[(4-methylcyclohexyl)amino]ethyl]furan-2-carboxamide
CID 3156885
N-[4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 65312462

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-4-oxobutyl]furan-2-carboxamide (CID 86998394) is N-[4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-4-oxobutyl]furan-2-carboxamide is CC1CCC(C(C)C)C(NC(=O)CCCNC(=O)c2ccco2)C1.
What is the InChIKey of N-[4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is CLWZLMSMGNZVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-13(2)15-9-8-14(3)12-16(15)21-18(22)7-4-10-20-19(23)17-6-5-11-24-17/h5-6,11,13-16H,4,7-10,12H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-4-oxobutyl]furan-2-carboxamide?
N-[4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 86998394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).