ethane;phenyl N-(2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl)carbamate

C25H29NO5 — CID 144846181

IUPACethane;phenyl N-(2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl)carbamate
SMILESCC.COC1=CCC2C(NC(=O)Oc3ccccc3)Cc3ccc(OC)c4c3C2C1O4
InChIInChI=1S/C23H23NO5.C2H6/c1-26-17-10-8-13-12-16(24-23(25)28-14-6-4-3-5-7-14)15-9-11-18(27-2)22-20(15)19(13)21(17)29-22;1-2/h3-8,10-11,15-16,20,22H,9,12H2,1-2H3,(H,24,25);1-2H3
InChIKeyFKMDKIVOXDJKSZ-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.83
Rot. Bonds4

About ethane;phenyl N-(2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl)carbamate

ethane;phenyl N-(2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl)carbamate (PubChem CID 144846181) has the molecular formula C25H29NO5 and a molecular weight of 423.51 g/mol. Its IUPAC name is ethane;phenyl N-(2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl)carbamate.

Molecular Properties

Compound Nameethane;phenyl N-(2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl)carbamate
PubChem CID144846181
Molecular FormulaC25H29NO5
Molecular Weight423.51 g/mol
Exact Mass423.20
IUPAC Nameethane;phenyl N-(2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl)carbamate
SMILESCC.COC1=CCC2C(NC(=O)Oc3ccccc3)Cc3ccc(OC)c4c3C2C1O4
InChIInChI=1S/C23H23NO5.C2H6/c1-26-17-10-8-13-12-16(24-23(25)28-14-6-4-3-5-7-14)15-9-11-18(27-2)22-20(15)19(13)21(17)29-22;1-2/h3-8,10-11,15-16,20,22H,9,12H2,1-2H3,(H,24,25);1-2H3
InChIKeyFKMDKIVOXDJKSZ-UHFFFAOYSA-N
XLogP4.83
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl N-[(6S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl]-N-propylcarbamate
CID 88982953
phenyl N-[(2S,3S)-6-cyano-2-(phenoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate
CID 2751276
[(8E)-4-methoxy-11,13-dimethyl-6-oxa-13-azatetracyclo[10.5.1.05,17.07,16]octadeca-1(17),2,4,8-tetraen-8-yl] benzoate
CID 134186040
ethane;N-[(1S,6S)-2-fluoro-11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-6-yl]benzenesulfonamide
CID 142605798
methyl (1S,2R,5S,6S,14R)-2-hydroxy-11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-6-carboxylate
CID 10662273
methyl (1S,2S,5S,6S,14R)-2-hydroxy-11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-6-carboxylate
CID 10494714
phenyl N-(4-methylpyrrolidin-3-yl)carbamate
CID 104826348
phenyl N-[(2R)-2-chloroazetidin-3-yl]carbamate
CID 163827018
phenyl N-(oxan-4-yl)carbamate
CID 61067434
benzene;phenyl N-cyclopropylcarbamate
CID 171499901
(1S,2S,5S,6S,14R)-11-methoxy-2-(methoxymethoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-6-carboxylic acid
CID 10568713
phenyl N-(3-hydroxy-4-methoxyphenyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of ethane;phenyl N-(2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl)carbamate?
The IUPAC name of ethane;phenyl N-(2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl)carbamate (CID 144846181) is ethane;phenyl N-(2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl)carbamate.
What is the SMILES notation for ethane;phenyl N-(2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl)carbamate?
The canonical SMILES for ethane;phenyl N-(2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl)carbamate is CC.COC1=CCC2C(NC(=O)Oc3ccccc3)Cc3ccc(OC)c4c3C2C1O4.
What is the InChIKey of ethane;phenyl N-(2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl)carbamate?
The InChIKey is FKMDKIVOXDJKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5.C2H6/c1-26-17-10-8-13-12-16(24-23(25)28-14-6-4-3-5-7-14)15-9-11-18(27-2)22-20(15)19(13)21(17)29-22;1-2/h3-8,10-11,15-16,20,22H,9,12H2,1-2H3,(H,24,25);1-2H3.
What are the key properties of ethane;phenyl N-(2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl)carbamate?
ethane;phenyl N-(2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl)carbamate has a molecular weight of 423.51 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;phenyl N-(2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl)carbamate is sourced from PubChem (CID 144846181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).