N-[4-[[(R)-cyclohexyl(phenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide

C22H28N2O3 — CID 39594557

IUPACN-[4-[[(R)-cyclohexyl(phenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide
SMILESO=C(CCCNC(=O)c1ccco1)N[C@@H](c1ccccc1)C1CCCCC1
InChIInChI=1S/C22H28N2O3/c25-20(14-7-15-23-22(26)19-13-8-16-27-19)24-21(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1,3-4,8-10,13,16,18,21H,2,5-7,11-12,14-15H2,(H,23,26)(H,24,25)/t21-/m0/s1
InChIKeyJVEILELOTWBKHS-NRFANRHFSA-N
MW368.48 g/mol
LogP4.23
Rot. Bonds8

About N-[4-[[(R)-cyclohexyl(phenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide

N-[4-[[(R)-cyclohexyl(phenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide (PubChem CID 39594557) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[4-[[(R)-cyclohexyl(phenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(R)-cyclohexyl(phenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide
PubChem CID39594557
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[4-[[(R)-cyclohexyl(phenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide
SMILESO=C(CCCNC(=O)c1ccco1)N[C@@H](c1ccccc1)C1CCCCC1
InChIInChI=1S/C22H28N2O3/c25-20(14-7-15-23-22(26)19-13-8-16-27-19)24-21(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1,3-4,8-10,13,16,18,21H,2,5-7,11-12,14-15H2,(H,23,26)(H,24,25)/t21-/m0/s1
InChIKeyJVEILELOTWBKHS-NRFANRHFSA-N
XLogP4.23
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.23
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-[4-[[(S)-cyclopentyl-(4-fluorophenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 51951505
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 55525398
N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride
CID 119589410
N-[4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 65312462
N-[4-[(2-cyclopropyl-2-hydroxyethyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 63294741
3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide
CID 14208386
2-[4-(furan-2-carbonylamino)butanoylamino]-3-methylbutanoic acid
CID 43353978
N-[4-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-4-oxobutyl]benzamide
CID 51187247
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-[(R)-cyclopentyl-(4-fluorophenyl)methyl]furan-2-carboxamide
CID 51951454
N-[4-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butyl]furan-2-carboxamide
CID 51180214

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(R)-cyclohexyl(phenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[(R)-cyclohexyl(phenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide (CID 39594557) is N-[4-[[(R)-cyclohexyl(phenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[(R)-cyclohexyl(phenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[(R)-cyclohexyl(phenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide is O=C(CCCNC(=O)c1ccco1)N[C@@H](c1ccccc1)C1CCCCC1.
What is the InChIKey of N-[4-[[(R)-cyclohexyl(phenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is JVEILELOTWBKHS-NRFANRHFSA-N. The full InChI is InChI=1S/C22H28N2O3/c25-20(14-7-15-23-22(26)19-13-8-16-27-19)24-21(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1,3-4,8-10,13,16,18,21H,2,5-7,11-12,14-15H2,(H,23,26)(H,24,25)/t21-/m0/s1.
What are the key properties of N-[4-[[(R)-cyclohexyl(phenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide?
N-[4-[[(R)-cyclohexyl(phenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(R)-cyclohexyl(phenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 39594557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).