N-cycloheptyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide

C22H29NO3 — CID 1011914

IUPACN-cycloheptyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
SMILESCC(C)c1ccc(OCc2ccc(C(=O)NC3CCCCCC3)o2)cc1
InChIInChI=1S/C22H29NO3/c1-16(2)17-9-11-19(12-10-17)25-15-20-13-14-21(26-20)22(24)23-18-7-5-3-4-6-8-18/h9-14,16,18H,3-8,15H2,1-2H3,(H,23,24)
InChIKeyOVUHWBFCBQSDFP-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.43
Rot. Bonds6

About N-cycloheptyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide

N-cycloheptyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide (PubChem CID 1011914) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-cycloheptyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
PubChem CID1011914
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-cycloheptyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
SMILESCC(C)c1ccc(OCc2ccc(C(=O)NC3CCCCCC3)o2)cc1
InChIInChI=1S/C22H29NO3/c1-16(2)17-9-11-19(12-10-17)25-15-20-13-14-21(26-20)22(24)23-18-7-5-3-4-6-8-18/h9-14,16,18H,3-8,15H2,1-2H3,(H,23,24)
InChIKeyOVUHWBFCBQSDFP-UHFFFAOYSA-N
XLogP5.43
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19446522
N-cyclohexyl-5-(phenoxymethyl)furan-2-carboxamide
CID 24980847
5-[(4-tert-butylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide
CID 998142
methyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate
CID 17024109
5-[(4-acetylphenoxy)methyl]-N-cyclopentylfuran-2-carboxamide
CID 19455175
N-cycloheptyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19461005
N-cyclooctyl-5-(methoxymethyl)furan-2-carboxamide
CID 86912047
N-(2-methoxyethyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448238
5-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]furan-2-carboxylic acid
CID 22683768
N-cycloheptyl-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
CID 19458831
N-(4-ethoxyphenyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19446544
N-cyclopropyl-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455418

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-cycloheptyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide (CID 1011914) is N-cycloheptyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-cycloheptyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide is CC(C)c1ccc(OCc2ccc(C(=O)NC3CCCCCC3)o2)cc1.
What is the InChIKey of N-cycloheptyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is OVUHWBFCBQSDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-16(2)17-9-11-19(12-10-17)25-15-20-13-14-21(26-20)22(24)23-18-7-5-3-4-6-8-18/h9-14,16,18H,3-8,15H2,1-2H3,(H,23,24).
What are the key properties of N-cycloheptyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
N-cycloheptyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 1011914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).