benzyl N-[(10R,12S)-14-(2-morpholin-4-ylethyl)-13-oxo-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-12-yl]carbamate

C26H29N5O4 — CID 163994246

IUPACbenzyl N-[(10R,12S)-14-(2-morpholin-4-ylethyl)-13-oxo-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-12-yl]carbamate
SMILESO=C(N[C@@]12C[C@@H]1c1ccc3[nH]ncc3c1CN(CCN1CCOCC1)C2=O)OCc1ccccc1
InChIInChI=1S/C26H29N5O4/c32-24-26(28-25(33)35-17-18-4-2-1-3-5-18)14-22(26)19-6-7-23-20(15-27-29-23)21(19)16-31(24)9-8-30-10-12-34-13-11-30/h1-7,15,22H,8-14,16-17H2,(H,27,29)(H,28,33)/t22-,26+/m1/s1
InChIKeyUDHTXOZPFIULRJ-GJZUVCINSA-N
MW475.55 g/mol
LogP2.39
Rot. Bonds6

About benzyl N-[(10R,12S)-14-(2-morpholin-4-ylethyl)-13-oxo-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-12-yl]carbamate

benzyl N-[(10R,12S)-14-(2-morpholin-4-ylethyl)-13-oxo-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-12-yl]carbamate (PubChem CID 163994246) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is benzyl N-[(10R,12S)-14-(2-morpholin-4-ylethyl)-13-oxo-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-12-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(10R,12S)-14-(2-morpholin-4-ylethyl)-13-oxo-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-12-yl]carbamate
PubChem CID163994246
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC Namebenzyl N-[(10R,12S)-14-(2-morpholin-4-ylethyl)-13-oxo-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-12-yl]carbamate
SMILESO=C(N[C@@]12C[C@@H]1c1ccc3[nH]ncc3c1CN(CCN1CCOCC1)C2=O)OCc1ccccc1
InChIInChI=1S/C26H29N5O4/c32-24-26(28-25(33)35-17-18-4-2-1-3-5-18)14-22(26)19-6-7-23-20(15-27-29-23)21(19)16-31(24)9-8-30-10-12-34-13-11-30/h1-7,15,22H,8-14,16-17H2,(H,27,29)(H,28,33)/t22-,26+/m1/s1
InChIKeyUDHTXOZPFIULRJ-GJZUVCINSA-N
XLogP2.39
TPSA99.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze benzyl N-[(10R,12S)-14-(2-morpholin-4-ylethyl)-13-oxo-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-12-yl]carbamate with MolForge

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Related Compounds

benzyl N-[(7R)-9-(2-morpholin-4-ylethyl)-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]carbamate
CID 59732005
benzyl N-[(7R)-8-oxo-9-(2-pyrrolidin-1-ylethyl)-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]carbamate
CID 59731900
benzyl N-[(12R)-13-oxo-14-(2-pyrrolidin-1-ylethyl)-4,5,14-triazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7-tetraen-12-yl]carbamate
CID 143228228
benzyl N-[(8bR)-3-benzyl-5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-4,8b-dihydro-1H-cyclopropa[d][2]benzazepin-1a-yl]carbamate
CID 143228195
benzyl N-[(7R)-8-oxo-9-propan-2-yl-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]carbamate
CID 59732012
1-(3H-benzo[e]indazol-7-yl)-3-morpholin-4-ylpropan-1-one
CID 71156893
benzyl N-morpholin-4-ylcarbamate
CID 54530052
4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(7R)-8-oxo-9-(2-piperidin-1-ylethyl)-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]piperidine-1-carboxamide
CID 11977862
benzyl N-[4-(2-morpholin-4-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836503
benzyl N-[3,4-dihydroxy-4-(1H-indazol-4-yl)butyl]carbamate
CID 171888590
benzyl N-[(2S)-1-[methyl(2-morpholin-4-ylethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(10R,12S)-14-(2-morpholin-4-ylethyl)-13-oxo-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-12-yl]carbamate?
The IUPAC name of benzyl N-[(10R,12S)-14-(2-morpholin-4-ylethyl)-13-oxo-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-12-yl]carbamate (CID 163994246) is benzyl N-[(10R,12S)-14-(2-morpholin-4-ylethyl)-13-oxo-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-12-yl]carbamate.
What is the SMILES notation for benzyl N-[(10R,12S)-14-(2-morpholin-4-ylethyl)-13-oxo-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-12-yl]carbamate?
The canonical SMILES for benzyl N-[(10R,12S)-14-(2-morpholin-4-ylethyl)-13-oxo-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-12-yl]carbamate is O=C(N[C@@]12C[C@@H]1c1ccc3[nH]ncc3c1CN(CCN1CCOCC1)C2=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(10R,12S)-14-(2-morpholin-4-ylethyl)-13-oxo-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-12-yl]carbamate?
The InChIKey is UDHTXOZPFIULRJ-GJZUVCINSA-N. The full InChI is InChI=1S/C26H29N5O4/c32-24-26(28-25(33)35-17-18-4-2-1-3-5-18)14-22(26)19-6-7-23-20(15-27-29-23)21(19)16-31(24)9-8-30-10-12-34-13-11-30/h1-7,15,22H,8-14,16-17H2,(H,27,29)(H,28,33)/t22-,26+/m1/s1.
What are the key properties of benzyl N-[(10R,12S)-14-(2-morpholin-4-ylethyl)-13-oxo-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-12-yl]carbamate?
benzyl N-[(10R,12S)-14-(2-morpholin-4-ylethyl)-13-oxo-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-12-yl]carbamate has a molecular weight of 475.55 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(10R,12S)-14-(2-morpholin-4-ylethyl)-13-oxo-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-12-yl]carbamate is sourced from PubChem (CID 163994246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).