N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide

C22H27N3O2 — CID 138999584

IUPACN-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide
SMILESCC1(C)CCC(NC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c2ccccc21
InChIInChI=1S/C22H27N3O2/c1-22(2)10-9-18(16-7-3-4-8-17(16)22)24-20(26)15-13-19(23-14-15)21(27)25-11-5-6-12-25/h3-4,7-8,13-14,18,23H,5-6,9-12H2,1-2H3,(H,24,26)
InChIKeySYRCSIFVEOQXSB-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.79
Rot. Bonds3

About N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide

N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide (PubChem CID 138999584) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide
PubChem CID138999584
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide
SMILESCC1(C)CCC(NC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c2ccccc21
InChIInChI=1S/C22H27N3O2/c1-22(2)10-9-18(16-7-3-4-8-17(16)22)24-20(26)15-13-19(23-14-15)21(27)25-11-5-6-12-25/h3-4,7-8,13-14,18,23H,5-6,9-12H2,1-2H3,(H,24,26)
InChIKeySYRCSIFVEOQXSB-UHFFFAOYSA-N
XLogP3.79
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide (CID 138999584) is N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide is CC1(C)CCC(NC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c2ccccc21.
What is the InChIKey of N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide?
The InChIKey is SYRCSIFVEOQXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-22(2)10-9-18(16-7-3-4-8-17(16)22)24-20(26)15-13-19(23-14-15)21(27)25-11-5-6-12-25/h3-4,7-8,13-14,18,23H,5-6,9-12H2,1-2H3,(H,24,26).
What are the key properties of N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide?
N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 138999584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).