N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]cyclohexanecarboxamide

C19H21N3O4 — CID 1272797

IUPACN-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]cyclohexanecarboxamide
SMILESO=C(NNC(=O)c1ccco1)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C19H21N3O4/c23-17(13-5-2-1-3-6-13)20-15-10-8-14(9-11-15)18(24)21-22-19(25)16-7-4-12-26-16/h4,7-13H,1-3,5-6H2,(H,20,23)(H,21,24)(H,22,25)
InChIKeyVZNCNCWOCRCHBP-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.87
Rot. Bonds4

About N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]cyclohexanecarboxamide

N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]cyclohexanecarboxamide (PubChem CID 1272797) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]cyclohexanecarboxamide
PubChem CID1272797
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]cyclohexanecarboxamide
SMILESO=C(NNC(=O)c1ccco1)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C19H21N3O4/c23-17(13-5-2-1-3-6-13)20-15-10-8-14(9-11-15)18(24)21-22-19(25)16-7-4-12-26-16/h4,7-13H,1-3,5-6H2,(H,20,23)(H,21,24)(H,22,25)
InChIKeyVZNCNCWOCRCHBP-UHFFFAOYSA-N
XLogP2.87
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide
CID 3149814
N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]acetamide
CID 6736260
N-[4-[[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 4510725
N-[4-[(cyclohexanecarbonylamino)methyl]phenyl]furan-2-carboxamide
CID 42017935
methyl 4-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamoyl]benzoate
CID 17178384
4-(cyclopropanecarbonylamino)-N-[1-(furan-2-yl)ethylideneamino]benzamide
CID 921018
trans-(1R,2R)-2-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 6547888
N-[4-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 9035306
N-[4-(methylaminocarbamoyl)phenyl]cyclobutanecarboxamide
CID 177007541
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-[4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 24620669
1-(furan-3-carbonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 55567441

Frequently Asked Questions

What is the IUPAC name of N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]cyclohexanecarboxamide (CID 1272797) is N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]cyclohexanecarboxamide is O=C(NNC(=O)c1ccco1)c1ccc(NC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]cyclohexanecarboxamide?
The InChIKey is VZNCNCWOCRCHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c23-17(13-5-2-1-3-6-13)20-15-10-8-14(9-11-15)18(24)21-22-19(25)16-7-4-12-26-16/h4,7-13H,1-3,5-6H2,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]cyclohexanecarboxamide?
N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]cyclohexanecarboxamide has a molecular weight of 355.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 1272797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).