1-ethyl-2,5-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrrole-3-carboxamide

C21H24N2O — CID 34404237

IUPAC1-ethyl-2,5-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrrole-3-carboxamide
SMILESCCn1c(C)cc(C(=O)N[C@H](C)c2cccc3ccccc23)c1C
InChIInChI=1S/C21H24N2O/c1-5-23-14(2)13-20(16(23)4)21(24)22-15(3)18-12-8-10-17-9-6-7-11-19(17)18/h6-13,15H,5H2,1-4H3,(H,22,24)/t15-/m1/s1
InChIKeyMZLJXZUZEFMWPM-OAHLLOKOSA-N
MW320.44 g/mol
LogP4.77
Rot. Bonds4

About 1-ethyl-2,5-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrrole-3-carboxamide

1-ethyl-2,5-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrrole-3-carboxamide (PubChem CID 34404237) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-ethyl-2,5-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-2,5-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrrole-3-carboxamide
PubChem CID34404237
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name1-ethyl-2,5-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrrole-3-carboxamide
SMILESCCn1c(C)cc(C(=O)N[C@H](C)c2cccc3ccccc23)c1C
InChIInChI=1S/C21H24N2O/c1-5-23-14(2)13-20(16(23)4)21(24)22-15(3)18-12-8-10-17-9-6-7-11-19(17)18/h6-13,15H,5H2,1-4H3,(H,22,24)/t15-/m1/s1
InChIKeyMZLJXZUZEFMWPM-OAHLLOKOSA-N
XLogP4.77
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
2-amino-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 131858457
2-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)benzamide
CID 24624533
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylbenzamide
CID 165115788
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
5-amino-2-(ethylamino)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231886
2-[2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid
CID 170337732
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 165116052
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
CID 24630049
5-methyl-N-[(1R)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide
CID 27753913

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,5-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrrole-3-carboxamide?
The IUPAC name of 1-ethyl-2,5-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrrole-3-carboxamide (CID 34404237) is 1-ethyl-2,5-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-ethyl-2,5-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrrole-3-carboxamide?
The canonical SMILES for 1-ethyl-2,5-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrrole-3-carboxamide is CCn1c(C)cc(C(=O)N[C@H](C)c2cccc3ccccc23)c1C.
What is the InChIKey of 1-ethyl-2,5-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrrole-3-carboxamide?
The InChIKey is MZLJXZUZEFMWPM-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N2O/c1-5-23-14(2)13-20(16(23)4)21(24)22-15(3)18-12-8-10-17-9-6-7-11-19(17)18/h6-13,15H,5H2,1-4H3,(H,22,24)/t15-/m1/s1.
What are the key properties of 1-ethyl-2,5-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrrole-3-carboxamide?
1-ethyl-2,5-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrrole-3-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,5-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrrole-3-carboxamide is sourced from PubChem (CID 34404237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).