7-methoxy-2-methyl-1-(3-phenylmethoxycyclobutyl)indolizine-3-carboxamide

C22H24N2O3 — CID 178115789

IUPAC7-methoxy-2-methyl-1-(3-phenylmethoxycyclobutyl)indolizine-3-carboxamide
SMILESCOc1ccn2c(C(N)=O)c(C)c(C3CC(OCc4ccccc4)C3)c2c1
InChIInChI=1S/C22H24N2O3/c1-14-20(16-10-18(11-16)27-13-15-6-4-3-5-7-15)19-12-17(26-2)8-9-24(19)21(14)22(23)25/h3-9,12,16,18H,10-11,13H2,1-2H3,(H2,23,25)
InChIKeyIPJCNKRDTTWWLF-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.82
Rot. Bonds6

About 7-methoxy-2-methyl-1-(3-phenylmethoxycyclobutyl)indolizine-3-carboxamide

7-methoxy-2-methyl-1-(3-phenylmethoxycyclobutyl)indolizine-3-carboxamide (PubChem CID 178115789) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 7-methoxy-2-methyl-1-(3-phenylmethoxycyclobutyl)indolizine-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-2-methyl-1-(3-phenylmethoxycyclobutyl)indolizine-3-carboxamide
PubChem CID178115789
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name7-methoxy-2-methyl-1-(3-phenylmethoxycyclobutyl)indolizine-3-carboxamide
SMILESCOc1ccn2c(C(N)=O)c(C)c(C3CC(OCc4ccccc4)C3)c2c1
InChIInChI=1S/C22H24N2O3/c1-14-20(16-10-18(11-16)27-13-15-6-4-3-5-7-15)19-12-17(26-2)8-9-24(19)21(14)22(23)25/h3-9,12,16,18H,10-11,13H2,1-2H3,(H2,23,25)
InChIKeyIPJCNKRDTTWWLF-UHFFFAOYSA-N
XLogP3.82
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenylmethoxycyclobutane-1-carboxamide
CID 121012391
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 12882576
(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 122657901
ethyl 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carboxylate
CID 118050829
benzyl 4-methoxy-2-piperidin-4-yloxybenzoate
CID 71586561
2-(3-benzoyl-2-ethyl-7-methoxyindolizin-1-yl)-2-oxoacetyl chloride
CID 10666817
(1R,3R,5S)-2-[(4-methoxyphenyl)methoxy]-3,5-bis(phenylmethoxy)cyclohexan-1-ol
CID 146033980
(Z)-2-amino-3-[(3-phenylmethoxycyclobutyl)amino]but-2-enoic acid
CID 164920377
(3-chlorocyclobutyl)oxymethylbenzene
CID 66344030
benzyl 5-methoxy-2,3-dimethylindole-1-carboxylate
CID 102166837
(1R,2R,4S)-2-ethyl-4-[(4-methoxyphenyl)methoxy]cyclopentane-1-carboxylic acid
CID 125472318

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-1-(3-phenylmethoxycyclobutyl)indolizine-3-carboxamide?
The IUPAC name of 7-methoxy-2-methyl-1-(3-phenylmethoxycyclobutyl)indolizine-3-carboxamide (CID 178115789) is 7-methoxy-2-methyl-1-(3-phenylmethoxycyclobutyl)indolizine-3-carboxamide.
What is the SMILES notation for 7-methoxy-2-methyl-1-(3-phenylmethoxycyclobutyl)indolizine-3-carboxamide?
The canonical SMILES for 7-methoxy-2-methyl-1-(3-phenylmethoxycyclobutyl)indolizine-3-carboxamide is COc1ccn2c(C(N)=O)c(C)c(C3CC(OCc4ccccc4)C3)c2c1.
What is the InChIKey of 7-methoxy-2-methyl-1-(3-phenylmethoxycyclobutyl)indolizine-3-carboxamide?
The InChIKey is IPJCNKRDTTWWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-14-20(16-10-18(11-16)27-13-15-6-4-3-5-7-15)19-12-17(26-2)8-9-24(19)21(14)22(23)25/h3-9,12,16,18H,10-11,13H2,1-2H3,(H2,23,25).
What are the key properties of 7-methoxy-2-methyl-1-(3-phenylmethoxycyclobutyl)indolizine-3-carboxamide?
7-methoxy-2-methyl-1-(3-phenylmethoxycyclobutyl)indolizine-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-1-(3-phenylmethoxycyclobutyl)indolizine-3-carboxamide is sourced from PubChem (CID 178115789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).