N-(cyclopropylmethyl)-10-(4-methoxy-2-methylphenyl)-N,11-dimethyl-5-oxa-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine

C22H26N4O2 — CID 22177731

IUPACN-(cyclopropylmethyl)-10-(4-methoxy-2-methylphenyl)-N,11-dimethyl-5-oxa-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
SMILESCOc1ccc(-c2c(C)nn3c(N(C)CC4CC4)c4c(nc23)COC4)c(C)c1
InChIInChI=1S/C22H26N4O2/c1-13-9-16(27-4)7-8-17(13)20-14(2)24-26-21(20)23-19-12-28-11-18(19)22(26)25(3)10-15-5-6-15/h7-9,15H,5-6,10-12H2,1-4H3
InChIKeyCCNYVCIZGLBEMS-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.90
Rot. Bonds5

About N-(cyclopropylmethyl)-10-(4-methoxy-2-methylphenyl)-N,11-dimethyl-5-oxa-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine

N-(cyclopropylmethyl)-10-(4-methoxy-2-methylphenyl)-N,11-dimethyl-5-oxa-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine (PubChem CID 22177731) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-10-(4-methoxy-2-methylphenyl)-N,11-dimethyl-5-oxa-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-10-(4-methoxy-2-methylphenyl)-N,11-dimethyl-5-oxa-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
PubChem CID22177731
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-(cyclopropylmethyl)-10-(4-methoxy-2-methylphenyl)-N,11-dimethyl-5-oxa-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
SMILESCOc1ccc(-c2c(C)nn3c(N(C)CC4CC4)c4c(nc23)COC4)c(C)c1
InChIInChI=1S/C22H26N4O2/c1-13-9-16(27-4)7-8-17(13)20-14(2)24-26-21(20)23-19-12-28-11-18(19)22(26)25(3)10-15-5-6-15/h7-9,15H,5-6,10-12H2,1-4H3
InChIKeyCCNYVCIZGLBEMS-UHFFFAOYSA-N
XLogP3.90
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(cyclopropylmethyl)-10-(4-methoxy-2-methylphenyl)-N,11-dimethyl-5-oxa-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine with MolForge

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Related Compounds

4-[[cyclopropylmethyl-[10-(4-methoxy-2-methylphenyl)-11-methyl-5-oxa-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]amino]methyl]benzonitrile;hydrochloride
CID 22177705
N-heptan-4-yl-10-(4-methoxy-2-methylphenyl)-11-methyl-5-oxa-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 22178027
N-cyclobutyl-N-ethyl-10-(4-methoxy-2-methylphenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine;hydrochloride
CID 22177831
10-(2-chloro-4-methoxyphenyl)-N-ethyl-N-(2-methoxyethyl)-11-methyl-5-oxa-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 70842633
N-butyl-10-(2-chloro-4-methoxyphenyl)-11-methyl-N-propyl-5-oxa-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine;hydrochloride
CID 22177875
10-(2-chloro-4-methoxyphenyl)-N-cyclopropyl-11-methyl-N-[(4-methylphenyl)methyl]-5-oxa-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine;hydrochloride
CID 22177776
N-ethyl-10-(4-methoxy-2-methylphenyl)-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 70842639
10-(4-methoxy-2-methylphenyl)-11-methyl-N,N-bis(prop-2-enyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine;hydrochloride
CID 22178056
10-(4-methoxy-2-methylphenyl)-N-[(4-methoxyphenyl)methyl]-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 22178105
N-but-2-ynyl-10-(2-chloro-4-methoxyphenyl)-N-(cyclopropylmethyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 23567878
N'-[10-(4-methoxy-2-methylphenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine;dihydrochloride
CID 22178109
N-cyclopentyl-10-(4-methoxy-2-methylphenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 10110091

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-10-(4-methoxy-2-methylphenyl)-N,11-dimethyl-5-oxa-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-10-(4-methoxy-2-methylphenyl)-N,11-dimethyl-5-oxa-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine (CID 22177731) is N-(cyclopropylmethyl)-10-(4-methoxy-2-methylphenyl)-N,11-dimethyl-5-oxa-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-10-(4-methoxy-2-methylphenyl)-N,11-dimethyl-5-oxa-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-10-(4-methoxy-2-methylphenyl)-N,11-dimethyl-5-oxa-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine is COc1ccc(-c2c(C)nn3c(N(C)CC4CC4)c4c(nc23)COC4)c(C)c1.
What is the InChIKey of N-(cyclopropylmethyl)-10-(4-methoxy-2-methylphenyl)-N,11-dimethyl-5-oxa-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
The InChIKey is CCNYVCIZGLBEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-13-9-16(27-4)7-8-17(13)20-14(2)24-26-21(20)23-19-12-28-11-18(19)22(26)25(3)10-15-5-6-15/h7-9,15H,5-6,10-12H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-10-(4-methoxy-2-methylphenyl)-N,11-dimethyl-5-oxa-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
N-(cyclopropylmethyl)-10-(4-methoxy-2-methylphenyl)-N,11-dimethyl-5-oxa-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine has a molecular weight of 378.48 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-10-(4-methoxy-2-methylphenyl)-N,11-dimethyl-5-oxa-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine is sourced from PubChem (CID 22177731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).