[(1R,10S,12R)-6-oxo-5-azatricyclo[8.4.0.01,5]tetradecan-12-yl] N-(furan-2-ylmethyl)carbamate

C19H26N2O4 — CID 70679634

IUPAC[(1R,10S,12R)-6-oxo-5-azatricyclo[8.4.0.01,5]tetradecan-12-yl] N-(furan-2-ylmethyl)carbamate
SMILESO=C(NCc1ccco1)O[C@@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1
InChIInChI=1S/C19H26N2O4/c22-17-6-1-4-14-12-15(7-9-19(14)8-3-10-21(17)19)25-18(23)20-13-16-5-2-11-24-16/h2,5,11,14-15H,1,3-4,6-10,12-13H2,(H,20,23)/t14-,15+,19+/m0/s1
InChIKeyKWVUMNGCPPAIOW-QMTMVMCOSA-N
MW346.43 g/mol
LogP3.22
Rot. Bonds3

About [(1R,10S,12R)-6-oxo-5-azatricyclo[8.4.0.01,5]tetradecan-12-yl] N-(furan-2-ylmethyl)carbamate

[(1R,10S,12R)-6-oxo-5-azatricyclo[8.4.0.01,5]tetradecan-12-yl] N-(furan-2-ylmethyl)carbamate (PubChem CID 70679634) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is [(1R,10S,12R)-6-oxo-5-azatricyclo[8.4.0.01,5]tetradecan-12-yl] N-(furan-2-ylmethyl)carbamate.

Molecular Properties

Compound Name[(1R,10S,12R)-6-oxo-5-azatricyclo[8.4.0.01,5]tetradecan-12-yl] N-(furan-2-ylmethyl)carbamate
PubChem CID70679634
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name[(1R,10S,12R)-6-oxo-5-azatricyclo[8.4.0.01,5]tetradecan-12-yl] N-(furan-2-ylmethyl)carbamate
SMILESO=C(NCc1ccco1)O[C@@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1
InChIInChI=1S/C19H26N2O4/c22-17-6-1-4-14-12-15(7-9-19(14)8-3-10-21(17)19)25-18(23)20-13-16-5-2-11-24-16/h2,5,11,14-15H,1,3-4,6-10,12-13H2,(H,20,23)/t14-,15+,19+/m0/s1
InChIKeyKWVUMNGCPPAIOW-QMTMVMCOSA-N
XLogP3.22
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R,10S,12R)-6-oxo-5-azatricyclo[8.4.0.01,5]tetradecan-12-yl] N-(furan-2-ylmethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,10S,12S)-6-oxo-5-azatricyclo[8.4.0.01,5]tetradecan-12-yl] N-[(4-chlorophenyl)methyl]carbamate
CID 70679782
(1R,10S,12S)-12-hydroxy-5-azatricyclo[8.4.0.01,5]tetradecan-6-one
CID 71729277
2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 17034773
[(1R,10S,11R,12S)-11-benzyl-6-oxo-5-azatricyclo[8.4.0.01,5]tetradecan-12-yl] N-[(2-chlorophenyl)methyl]carbamate
CID 71729151
(1R,10S,12R)-12-[(2,4-difluorophenyl)methylamino]-5-azatricyclo[8.4.0.01,5]tetradecan-6-one
CID 70679623
1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea
CID 47172133
1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62097630
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
2-(4-ethoxypiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 52728905
N-(furan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 3235861
N-(furan-2-ylmethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 86911870
1-amino-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60866496

Frequently Asked Questions

What is the IUPAC name of [(1R,10S,12R)-6-oxo-5-azatricyclo[8.4.0.01,5]tetradecan-12-yl] N-(furan-2-ylmethyl)carbamate?
The IUPAC name of [(1R,10S,12R)-6-oxo-5-azatricyclo[8.4.0.01,5]tetradecan-12-yl] N-(furan-2-ylmethyl)carbamate (CID 70679634) is [(1R,10S,12R)-6-oxo-5-azatricyclo[8.4.0.01,5]tetradecan-12-yl] N-(furan-2-ylmethyl)carbamate.
What is the SMILES notation for [(1R,10S,12R)-6-oxo-5-azatricyclo[8.4.0.01,5]tetradecan-12-yl] N-(furan-2-ylmethyl)carbamate?
The canonical SMILES for [(1R,10S,12R)-6-oxo-5-azatricyclo[8.4.0.01,5]tetradecan-12-yl] N-(furan-2-ylmethyl)carbamate is O=C(NCc1ccco1)O[C@@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1.
What is the InChIKey of [(1R,10S,12R)-6-oxo-5-azatricyclo[8.4.0.01,5]tetradecan-12-yl] N-(furan-2-ylmethyl)carbamate?
The InChIKey is KWVUMNGCPPAIOW-QMTMVMCOSA-N. The full InChI is InChI=1S/C19H26N2O4/c22-17-6-1-4-14-12-15(7-9-19(14)8-3-10-21(17)19)25-18(23)20-13-16-5-2-11-24-16/h2,5,11,14-15H,1,3-4,6-10,12-13H2,(H,20,23)/t14-,15+,19+/m0/s1.
What are the key properties of [(1R,10S,12R)-6-oxo-5-azatricyclo[8.4.0.01,5]tetradecan-12-yl] N-(furan-2-ylmethyl)carbamate?
[(1R,10S,12R)-6-oxo-5-azatricyclo[8.4.0.01,5]tetradecan-12-yl] N-(furan-2-ylmethyl)carbamate has a molecular weight of 346.43 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,10S,12R)-6-oxo-5-azatricyclo[8.4.0.01,5]tetradecan-12-yl] N-(furan-2-ylmethyl)carbamate is sourced from PubChem (CID 70679634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).