1-N,2-N-bis(2,4-dimethylphenyl)-3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxamide

C26H29N3O2 — CID 14901316

IUPAC1-N,2-N-bis(2,4-dimethylphenyl)-3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)c2c(C(=O)Nc3ccc(C)cc3C)c3n(c2C)CCC3)c(C)c1
InChIInChI=1S/C26H29N3O2/c1-15-8-10-20(17(3)13-15)27-25(30)23-19(5)29-12-6-7-22(29)24(23)26(31)28-21-11-9-16(2)14-18(21)4/h8-11,13-14H,6-7,12H2,1-5H3,(H,27,30)(H,28,31)
InChIKeyAJJOBCSRXGTMID-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.48
Rot. Bonds4

About 1-N,2-N-bis(2,4-dimethylphenyl)-3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxamide

1-N,2-N-bis(2,4-dimethylphenyl)-3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxamide (PubChem CID 14901316) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-N,2-N-bis(2,4-dimethylphenyl)-3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,2-N-bis(2,4-dimethylphenyl)-3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxamide
PubChem CID14901316
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name1-N,2-N-bis(2,4-dimethylphenyl)-3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)c2c(C(=O)Nc3ccc(C)cc3C)c3n(c2C)CCC3)c(C)c1
InChIInChI=1S/C26H29N3O2/c1-15-8-10-20(17(3)13-15)27-25(30)23-19(5)29-12-6-7-22(29)24(23)26(31)28-21-11-9-16(2)14-18(21)4/h8-11,13-14H,6-7,12H2,1-5H3,(H,27,30)(H,28,31)
InChIKeyAJJOBCSRXGTMID-UHFFFAOYSA-N
XLogP5.48
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 110389070
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CID 774370
4-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide
CID 109049129
N-(2,4-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 21173697
2,3,6-trichloro-N-(2,4-dimethylphenyl)benzamide
CID 19166051
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CID 3416969
3-N-cyclohexyl-1-N-(2,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074793
N-(2,4-dimethylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 1047318
N-(2,4-dimethylphenyl)-3-(piperidine-1-carbonyl)benzamide
CID 109052045
3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid
CID 16777399
5-(azepan-1-yl)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109196864
1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043157

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(2,4-dimethylphenyl)-3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxamide?
The IUPAC name of 1-N,2-N-bis(2,4-dimethylphenyl)-3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxamide (CID 14901316) is 1-N,2-N-bis(2,4-dimethylphenyl)-3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxamide.
What is the SMILES notation for 1-N,2-N-bis(2,4-dimethylphenyl)-3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxamide?
The canonical SMILES for 1-N,2-N-bis(2,4-dimethylphenyl)-3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxamide is Cc1ccc(NC(=O)c2c(C(=O)Nc3ccc(C)cc3C)c3n(c2C)CCC3)c(C)c1.
What is the InChIKey of 1-N,2-N-bis(2,4-dimethylphenyl)-3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxamide?
The InChIKey is AJJOBCSRXGTMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-15-8-10-20(17(3)13-15)27-25(30)23-19(5)29-12-6-7-22(29)24(23)26(31)28-21-11-9-16(2)14-18(21)4/h8-11,13-14H,6-7,12H2,1-5H3,(H,27,30)(H,28,31).
What are the key properties of 1-N,2-N-bis(2,4-dimethylphenyl)-3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxamide?
1-N,2-N-bis(2,4-dimethylphenyl)-3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxamide has a molecular weight of 415.54 g/mol, XLogP of 5.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(2,4-dimethylphenyl)-3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxamide is sourced from PubChem (CID 14901316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).