N-[4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoyl]phenyl]furan-2-carboxamide

C23H29N3O4 — CID 9405434

IUPACN-[4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C23H29N3O4/c27-21(18-6-8-19(9-7-18)25-22(28)20-5-4-14-30-20)24-17-23(10-2-1-3-11-23)26-12-15-29-16-13-26/h4-9,14H,1-3,10-13,15-17H2,(H,24,27)(H,25,28)
InChIKeyKHRUSPPOCYIMDL-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.30
Rot. Bonds6

About N-[4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoyl]phenyl]furan-2-carboxamide

N-[4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 9405434) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID9405434
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C23H29N3O4/c27-21(18-6-8-19(9-7-18)25-22(28)20-5-4-14-30-20)24-17-23(10-2-1-3-11-23)26-12-15-29-16-13-26/h4-9,14H,1-3,10-13,15-17H2,(H,24,27)(H,25,28)
InChIKeyKHRUSPPOCYIMDL-UHFFFAOYSA-N
XLogP3.30
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
N-[4-[(1-hydroxycyclobutyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 111445635
4-morpholin-4-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
CID 91792119
3-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150674
4-(3-hydroxy-3-methylbutyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]benzamide
CID 56892729
4-(difluoromethylsulfanyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18148355
N-[4-[[1-(4-fluorophenyl)cyclopentyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55843746
4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide
CID 55658360
N-[4-[(3-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide
CID 18153813
N-[4-[(2-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide
CID 46442213
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26243989
N-[4-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 9035306

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoyl]phenyl]furan-2-carboxamide (CID 9405434) is N-[4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoyl]phenyl]furan-2-carboxamide is O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is KHRUSPPOCYIMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c27-21(18-6-8-19(9-7-18)25-22(28)20-5-4-14-30-20)24-17-23(10-2-1-3-11-23)26-12-15-29-16-13-26/h4-9,14H,1-3,10-13,15-17H2,(H,24,27)(H,25,28).
What are the key properties of N-[4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoyl]phenyl]furan-2-carboxamide?
N-[4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 9405434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).