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

C24H32N2O4 — CID 42939618

IUPACN-[4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]phenyl]furan-2-carboxamide
SMILESCC1CCC(C(C)C)C(OCC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)C1
InChIInChI=1S/C24H32N2O4/c1-16(2)20-11-6-17(3)13-22(20)30-15-23(27)25-14-18-7-9-19(10-8-18)26-24(28)21-5-4-12-29-21/h4-5,7-10,12,16-17,20,22H,6,11,13-15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyNFZLACPEZBGIMZ-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.63
Rot. Bonds8

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

N-[4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 42939618) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]phenyl]furan-2-carboxamide
PubChem CID42939618
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC NameN-[4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]phenyl]furan-2-carboxamide
SMILESCC1CCC(C(C)C)C(OCC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)C1
InChIInChI=1S/C24H32N2O4/c1-16(2)20-11-6-17(3)13-22(20)30-15-23(27)25-14-18-7-9-19(10-8-18)26-24(28)21-5-4-12-29-21/h4-5,7-10,12,16-17,20,22H,6,11,13-15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyNFZLACPEZBGIMZ-UHFFFAOYSA-N
XLogP4.63
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide
CID 42017934
N-[4-[[[2-(2-hydroxyphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 78833691
N-ethyl-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]benzamide
CID 166206981
N-[4-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119700864
N-[4-[[[2-(2-formylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 30332762
N-[4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 24620669
N-[4-[(cyclohexanecarbonylamino)methyl]phenyl]furan-2-carboxamide
CID 42017935
N-[4-[[[2-(2-tert-butylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 24620662
N-[4-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55845140
N-[4-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55589199
ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate
CID 60712061
N-[4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 86998394

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]phenyl]furan-2-carboxamide (CID 42939618) is N-[4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]phenyl]furan-2-carboxamide is CC1CCC(C(C)C)C(OCC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)C1.
What is the InChIKey of N-[4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is NFZLACPEZBGIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-16(2)20-11-6-17(3)13-22(20)30-15-23(27)25-14-18-7-9-19(10-8-18)26-24(28)21-5-4-12-29-21/h4-5,7-10,12,16-17,20,22H,6,11,13-15H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N-[4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 42939618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).