N-methyl-N-[(8R)-5-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-8-yl]-2,2-diphenylacetamide

C28H27N3O2 — CID 88928314

IUPACN-methyl-N-[(8R)-5-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-8-yl]-2,2-diphenylacetamide
SMILESCN(C(=O)C(c1ccccc1)c1ccccc1)[C@@H]1CCc2c(CC=O)c3cccnc3n2C1
InChIInChI=1S/C28H27N3O2/c1-30(28(33)26(20-9-4-2-5-10-20)21-11-6-3-7-12-21)22-14-15-25-23(16-18-32)24-13-8-17-29-27(24)31(25)19-22/h2-13,17-18,22,26H,14-16,19H2,1H3/t22-/m1/s1
InChIKeyCGNXDZOBZSRTBU-JOCHJYFZSA-N
MW437.54 g/mol
LogP4.38
Rot. Bonds6

About N-methyl-N-[(8R)-5-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-8-yl]-2,2-diphenylacetamide

N-methyl-N-[(8R)-5-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-8-yl]-2,2-diphenylacetamide (PubChem CID 88928314) has the molecular formula C28H27N3O2 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-methyl-N-[(8R)-5-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-8-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(8R)-5-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-8-yl]-2,2-diphenylacetamide
PubChem CID88928314
Molecular FormulaC28H27N3O2
Molecular Weight437.54 g/mol
Exact Mass437.21
IUPAC NameN-methyl-N-[(8R)-5-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-8-yl]-2,2-diphenylacetamide
SMILESCN(C(=O)C(c1ccccc1)c1ccccc1)[C@@H]1CCc2c(CC=O)c3cccnc3n2C1
InChIInChI=1S/C28H27N3O2/c1-30(28(33)26(20-9-4-2-5-10-20)21-11-6-3-7-12-21)22-14-15-25-23(16-18-32)24-13-8-17-29-27(24)31(25)19-22/h2-13,17-18,22,26H,14-16,19H2,1H3/t22-/m1/s1
InChIKeyCGNXDZOBZSRTBU-JOCHJYFZSA-N
XLogP4.38
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[(8R)-8-[[1-(4-fluorophenyl)cyclopropanecarbonyl]-methylamino]-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-5-yl]acetic acid
CID 53317854
2-[7-[(2-methoxy-2-phenylacetyl)-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
CID 76769571
2-(8-oxo-7,9-dihydro-6H-pyrido[3,2-b]indolizin-5-yl)acetic acid
CID 145226804
2-[(7R)-7-[methyl-(2-thiophen-2-ylacetyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
CID 58349685
2-[(7R)-7-[methyl-[2-[4-(trifluoromethyl)phenyl]acetyl]amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
CID 54583708
2-[(7S)-7-[[2-(4-fluorophenyl)acetyl]-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
CID 58349690
2-[7-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
CID 76769579
N,N-dimethyl-2,2-diphenylacetamide
CID 19693860
2-[(3R)-3-[[2,2-bis(4-fluorophenyl)acetyl]-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
CID 67310347
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2,2-diphenylacetamide
CID 135100334
2,2-diphenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705535
2-amino-N-cyclopentyl-N-methyl-2-phenylacetamide
CID 43267220

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(8R)-5-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-8-yl]-2,2-diphenylacetamide?
The IUPAC name of N-methyl-N-[(8R)-5-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-8-yl]-2,2-diphenylacetamide (CID 88928314) is N-methyl-N-[(8R)-5-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-8-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-methyl-N-[(8R)-5-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-8-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-methyl-N-[(8R)-5-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-8-yl]-2,2-diphenylacetamide is CN(C(=O)C(c1ccccc1)c1ccccc1)[C@@H]1CCc2c(CC=O)c3cccnc3n2C1.
What is the InChIKey of N-methyl-N-[(8R)-5-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-8-yl]-2,2-diphenylacetamide?
The InChIKey is CGNXDZOBZSRTBU-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H27N3O2/c1-30(28(33)26(20-9-4-2-5-10-20)21-11-6-3-7-12-21)22-14-15-25-23(16-18-32)24-13-8-17-29-27(24)31(25)19-22/h2-13,17-18,22,26H,14-16,19H2,1H3/t22-/m1/s1.
What are the key properties of N-methyl-N-[(8R)-5-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-8-yl]-2,2-diphenylacetamide?
N-methyl-N-[(8R)-5-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-8-yl]-2,2-diphenylacetamide has a molecular weight of 437.54 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(8R)-5-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-8-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 88928314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).