N-cyclohexyl-N-methyl-3-phenyl-2-pyrrol-1-ylpropanamide

C20H26N2O — CID 6622964

IUPACN-cyclohexyl-N-methyl-3-phenyl-2-pyrrol-1-ylpropanamide
SMILESCN(C(=O)C(Cc1ccccc1)n1cccc1)C1CCCCC1
InChIInChI=1S/C20H26N2O/c1-21(18-12-6-3-7-13-18)20(23)19(22-14-8-9-15-22)16-17-10-4-2-5-11-17/h2,4-5,8-11,14-15,18-19H,3,6-7,12-13,16H2,1H3
InChIKeyGUVUKUVXAHMWDQ-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.06
Rot. Bonds5

About N-cyclohexyl-N-methyl-3-phenyl-2-pyrrol-1-ylpropanamide

N-cyclohexyl-N-methyl-3-phenyl-2-pyrrol-1-ylpropanamide (PubChem CID 6622964) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-3-phenyl-2-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-3-phenyl-2-pyrrol-1-ylpropanamide
PubChem CID6622964
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-cyclohexyl-N-methyl-3-phenyl-2-pyrrol-1-ylpropanamide
SMILESCN(C(=O)C(Cc1ccccc1)n1cccc1)C1CCCCC1
InChIInChI=1S/C20H26N2O/c1-21(18-12-6-3-7-13-18)20(23)19(22-14-8-9-15-22)16-17-10-4-2-5-11-17/h2,4-5,8-11,14-15,18-19H,3,6-7,12-13,16H2,1H3
InChIKeyGUVUKUVXAHMWDQ-UHFFFAOYSA-N
XLogP4.06
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-3-phenyl-2-pyrrol-1-ylpropanamide?
The IUPAC name of N-cyclohexyl-N-methyl-3-phenyl-2-pyrrol-1-ylpropanamide (CID 6622964) is N-cyclohexyl-N-methyl-3-phenyl-2-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-3-phenyl-2-pyrrol-1-ylpropanamide?
The canonical SMILES for N-cyclohexyl-N-methyl-3-phenyl-2-pyrrol-1-ylpropanamide is CN(C(=O)C(Cc1ccccc1)n1cccc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-3-phenyl-2-pyrrol-1-ylpropanamide?
The InChIKey is GUVUKUVXAHMWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-21(18-12-6-3-7-13-18)20(23)19(22-14-8-9-15-22)16-17-10-4-2-5-11-17/h2,4-5,8-11,14-15,18-19H,3,6-7,12-13,16H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-3-phenyl-2-pyrrol-1-ylpropanamide?
N-cyclohexyl-N-methyl-3-phenyl-2-pyrrol-1-ylpropanamide has a molecular weight of 310.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-3-phenyl-2-pyrrol-1-ylpropanamide is sourced from PubChem (CID 6622964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).