N-[4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide

C21H25N3O4 — CID 24620669

IUPACN-[4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(CNC(=O)C1CCCCC1)NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H25N3O4/c25-19(14-23-20(26)16-5-2-1-3-6-16)22-13-15-8-10-17(11-9-15)24-21(27)18-7-4-12-28-18/h4,7-12,16H,1-3,5-6,13-14H2,(H,22,25)(H,23,26)(H,24,27)
InChIKeyZJIUCNGEAFMQBG-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.84
Rot. Bonds7

About N-[4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide

N-[4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 24620669) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide
PubChem CID24620669
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(CNC(=O)C1CCCCC1)NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H25N3O4/c25-19(14-23-20(26)16-5-2-1-3-6-16)22-13-15-8-10-17(11-9-15)24-21(27)18-7-4-12-28-18/h4,7-12,16H,1-3,5-6,13-14H2,(H,22,25)(H,23,26)(H,24,27)
InChIKeyZJIUCNGEAFMQBG-UHFFFAOYSA-N
XLogP2.84
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[4-[(cyclohexanecarbonylamino)methyl]phenyl]furan-2-carboxamide
CID 42017935
N-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide
CID 3149814
N-[[4-(furan-2-carbonylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119277230
N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide
CID 47057603
N-[4-[(2-cyclohexylacetyl)amino]phenyl]furan-2-carboxamide
CID 30783674
4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]benzoic acid
CID 45423811
N-[4-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 18145259
N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide
CID 42017934
N-[4-[[[C-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N-methylcarbonimidoyl]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 109442468
N-[4-[[(1-cyanocyclopentanecarbonyl)amino]methyl]phenyl]furan-2-carboxamide
CID 39856169
N-[4-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119700864
N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]cyclohexanecarboxamide
CID 1272797

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide (CID 24620669) is N-[4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide is O=C(CNC(=O)C1CCCCC1)NCc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is ZJIUCNGEAFMQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c25-19(14-23-20(26)16-5-2-1-3-6-16)22-13-15-8-10-17(11-9-15)24-21(27)18-7-4-12-28-18/h4,7-12,16H,1-3,5-6,13-14H2,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-[4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 24620669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).