N-(3-cyclopropyl-5-methylphenyl)-5-(3-phenylpropyl)-1-propylpyrrole-2-carboxamide

C27H32N2O — CID 155451855

IUPACN-(3-cyclopropyl-5-methylphenyl)-5-(3-phenylpropyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1c(CCCc2ccccc2)ccc1C(=O)Nc1cc(C)cc(C2CC2)c1
InChIInChI=1S/C27H32N2O/c1-3-16-29-25(11-7-10-21-8-5-4-6-9-21)14-15-26(29)27(30)28-24-18-20(2)17-23(19-24)22-12-13-22/h4-6,8-9,14-15,17-19,22H,3,7,10-13,16H2,1-2H3,(H,28,30)
InChIKeyHDRRGDMHCTYMGG-UHFFFAOYSA-N
MW400.57 g/mol
LogP6.51
Rot. Bonds9

About N-(3-cyclopropyl-5-methylphenyl)-5-(3-phenylpropyl)-1-propylpyrrole-2-carboxamide

N-(3-cyclopropyl-5-methylphenyl)-5-(3-phenylpropyl)-1-propylpyrrole-2-carboxamide (PubChem CID 155451855) has the molecular formula C27H32N2O and a molecular weight of 400.57 g/mol. Its IUPAC name is N-(3-cyclopropyl-5-methylphenyl)-5-(3-phenylpropyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-5-methylphenyl)-5-(3-phenylpropyl)-1-propylpyrrole-2-carboxamide
PubChem CID155451855
Molecular FormulaC27H32N2O
Molecular Weight400.57 g/mol
Exact Mass400.25
IUPAC NameN-(3-cyclopropyl-5-methylphenyl)-5-(3-phenylpropyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1c(CCCc2ccccc2)ccc1C(=O)Nc1cc(C)cc(C2CC2)c1
InChIInChI=1S/C27H32N2O/c1-3-16-29-25(11-7-10-21-8-5-4-6-9-21)14-15-26(29)27(30)28-24-18-20(2)17-23(19-24)22-12-13-22/h4-6,8-9,14-15,17-19,22H,3,7,10-13,16H2,1-2H3,(H,28,30)
InChIKeyHDRRGDMHCTYMGG-UHFFFAOYSA-N
XLogP6.51
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-5-methylphenyl)-5-(3-phenylpropyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of N-(3-cyclopropyl-5-methylphenyl)-5-(3-phenylpropyl)-1-propylpyrrole-2-carboxamide (CID 155451855) is N-(3-cyclopropyl-5-methylphenyl)-5-(3-phenylpropyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-cyclopropyl-5-methylphenyl)-5-(3-phenylpropyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-cyclopropyl-5-methylphenyl)-5-(3-phenylpropyl)-1-propylpyrrole-2-carboxamide is CCCn1c(CCCc2ccccc2)ccc1C(=O)Nc1cc(C)cc(C2CC2)c1.
What is the InChIKey of N-(3-cyclopropyl-5-methylphenyl)-5-(3-phenylpropyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is HDRRGDMHCTYMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O/c1-3-16-29-25(11-7-10-21-8-5-4-6-9-21)14-15-26(29)27(30)28-24-18-20(2)17-23(19-24)22-12-13-22/h4-6,8-9,14-15,17-19,22H,3,7,10-13,16H2,1-2H3,(H,28,30).
What are the key properties of N-(3-cyclopropyl-5-methylphenyl)-5-(3-phenylpropyl)-1-propylpyrrole-2-carboxamide?
N-(3-cyclopropyl-5-methylphenyl)-5-(3-phenylpropyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 400.57 g/mol, XLogP of 6.51, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-5-methylphenyl)-5-(3-phenylpropyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 155451855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).