cyclopentylmethyl N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]carbamate

C22H27NO4 — CID 23392489

IUPACcyclopentylmethyl N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]carbamate
SMILESC=C1CC2COC(=O)C2(Cc2ccc(NC(=O)OCC3CCCC3)cc2)C1
InChIInChI=1S/C22H27NO4/c1-15-10-18-14-26-20(24)22(18,11-15)12-16-6-8-19(9-7-16)23-21(25)27-13-17-4-2-3-5-17/h6-9,17-18H,1-5,10-14H2,(H,23,25)
InChIKeyULPYXNKLJLVZEW-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.48
Rot. Bonds5

About cyclopentylmethyl N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]carbamate

cyclopentylmethyl N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]carbamate (PubChem CID 23392489) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is cyclopentylmethyl N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]carbamate.

Molecular Properties

Compound Namecyclopentylmethyl N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]carbamate
PubChem CID23392489
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Namecyclopentylmethyl N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]carbamate
SMILESC=C1CC2COC(=O)C2(Cc2ccc(NC(=O)OCC3CCCC3)cc2)C1
InChIInChI=1S/C22H27NO4/c1-15-10-18-14-26-20(24)22(18,11-15)12-16-6-8-19(9-7-16)23-21(25)27-13-17-4-2-3-5-17/h6-9,17-18H,1-5,10-14H2,(H,23,25)
InChIKeyULPYXNKLJLVZEW-UHFFFAOYSA-N
XLogP4.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]oxolane-2-carboxamide
CID 23392578
2-(dimethylamino)-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide
CID 142038050
1-(2,6-dimethylcyclohexyl)-3-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]urea
CID 142037993
propyl N-[3-[2-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]anilino]-2-oxoethyl]phenyl]carbamate
CID 142038064
9H-fluoren-9-ylmethyl N-[1-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]anilino]-1-oxo-4-phenylbutan-2-yl]carbamate
CID 142038011
1-(4-bromophenyl)-3-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]thiourea
CID 142038015
N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]-2-thiophen-3-ylacetamide
CID 23392561
4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]benzoic acid
CID 18416985
N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]-2-(2,4,6-trichlorophenyl)acetamide
CID 23392555
2-(3-fluoro-4-hydroxyphenyl)-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide
CID 23392262
2-[4-hydroxy-3-(2-methylpropyl)phenyl]-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide
CID 23392279
tert-butyl N-[1-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]anilino]-1-oxo-4-phenylbutan-2-yl]carbamate
CID 142038077

Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]carbamate?
The IUPAC name of cyclopentylmethyl N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]carbamate (CID 23392489) is cyclopentylmethyl N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]carbamate.
What is the SMILES notation for cyclopentylmethyl N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]carbamate?
The canonical SMILES for cyclopentylmethyl N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]carbamate is C=C1CC2COC(=O)C2(Cc2ccc(NC(=O)OCC3CCCC3)cc2)C1.
What is the InChIKey of cyclopentylmethyl N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]carbamate?
The InChIKey is ULPYXNKLJLVZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-15-10-18-14-26-20(24)22(18,11-15)12-16-6-8-19(9-7-16)23-21(25)27-13-17-4-2-3-5-17/h6-9,17-18H,1-5,10-14H2,(H,23,25).
What are the key properties of cyclopentylmethyl N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]carbamate?
cyclopentylmethyl N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]carbamate has a molecular weight of 369.46 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]carbamate is sourced from PubChem (CID 23392489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).