9-(cyclopropylmethyl)-12-[(2-methoxyphenyl)methyl]-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one

C23H26N2O3 — CID 162945426

IUPAC9-(cyclopropylmethyl)-12-[(2-methoxyphenyl)methyl]-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one
SMILESCOc1ccccc1CN1CC2CC1C(=O)N(CC1CC1)c1ccccc1O2
InChIInChI=1S/C23H26N2O3/c1-27-21-8-4-2-6-17(21)14-24-15-18-12-20(24)23(26)25(13-16-10-11-16)19-7-3-5-9-22(19)28-18/h2-9,16,18,20H,10-15H2,1H3
InChIKeyBSEZWEAZKYYVKX-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.47
Rot. Bonds5

About 9-(cyclopropylmethyl)-12-[(2-methoxyphenyl)methyl]-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one

9-(cyclopropylmethyl)-12-[(2-methoxyphenyl)methyl]-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one (PubChem CID 162945426) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-12-[(2-methoxyphenyl)methyl]-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-12-[(2-methoxyphenyl)methyl]-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one
PubChem CID162945426
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name9-(cyclopropylmethyl)-12-[(2-methoxyphenyl)methyl]-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one
SMILESCOc1ccccc1CN1CC2CC1C(=O)N(CC1CC1)c1ccccc1O2
InChIInChI=1S/C23H26N2O3/c1-27-21-8-4-2-6-17(21)14-24-15-18-12-20(24)23(26)25(13-16-10-11-16)19-7-3-5-9-22(19)28-18/h2-9,16,18,20H,10-15H2,1H3
InChIKeyBSEZWEAZKYYVKX-UHFFFAOYSA-N
XLogP3.47
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(cyclopropylmethyl)-12-[(6-methoxy-2-pyridinyl)methyl]-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one
CID 162798511
12-[(4-chlorophenyl)methyl]-9-(cyclopropylmethyl)-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one
CID 163003528
9,12-dibenzyl-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one
CID 162798558
(1S,11S)-9-(2-methoxyethyl)-12-[(6-methoxy-2-pyridinyl)methyl]-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one
CID 75410360
(1S,11S)-12-[(4-methoxyphenyl)methyl]-9-(pyridin-3-ylmethyl)-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one
CID 75410235
4-[[9-(2-methoxyethyl)-10-oxo-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-12-yl]methyl]benzoic acid
CID 162797918
(1S,11S)-12-[(2-chlorophenyl)methyl]-9-(pyridin-2-ylmethyl)-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one
CID 75410263
9-(2-methoxyethyl)-12-[[4-(trifluoromethoxy)phenyl]methyl]-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one
CID 163000608
12-[(2-chlorophenyl)methyl]-9-(pyridin-3-ylmethyl)-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one
CID 162994641
(1S,11S)-12-[(2-chlorophenyl)methyl]-9-(pyridin-3-ylmethyl)-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one
CID 75410239
(1S,11S)-9-[(4-methoxyphenyl)methyl]-12-(oxan-4-yl)-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one
CID 75410297
(1S,11S)-9-benzyl-12-(quinolin-3-ylmethyl)-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one
CID 75410189

Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-12-[(2-methoxyphenyl)methyl]-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one?
The IUPAC name of 9-(cyclopropylmethyl)-12-[(2-methoxyphenyl)methyl]-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one (CID 162945426) is 9-(cyclopropylmethyl)-12-[(2-methoxyphenyl)methyl]-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one.
What is the SMILES notation for 9-(cyclopropylmethyl)-12-[(2-methoxyphenyl)methyl]-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one?
The canonical SMILES for 9-(cyclopropylmethyl)-12-[(2-methoxyphenyl)methyl]-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one is COc1ccccc1CN1CC2CC1C(=O)N(CC1CC1)c1ccccc1O2.
What is the InChIKey of 9-(cyclopropylmethyl)-12-[(2-methoxyphenyl)methyl]-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one?
The InChIKey is BSEZWEAZKYYVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-27-21-8-4-2-6-17(21)14-24-15-18-12-20(24)23(26)25(13-16-10-11-16)19-7-3-5-9-22(19)28-18/h2-9,16,18,20H,10-15H2,1H3.
What are the key properties of 9-(cyclopropylmethyl)-12-[(2-methoxyphenyl)methyl]-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one?
9-(cyclopropylmethyl)-12-[(2-methoxyphenyl)methyl]-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one has a molecular weight of 378.47 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethyl)-12-[(2-methoxyphenyl)methyl]-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one is sourced from PubChem (CID 162945426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).