N-benzyl-2,2-dimethyl-5-oxopyrrole-1-carboxamide

C14H16N2O2 — CID 145361757

IUPACN-benzyl-2,2-dimethyl-5-oxopyrrole-1-carboxamide
SMILESCC1(C)C=CC(=O)N1C(=O)NCc1ccccc1
InChIInChI=1S/C14H16N2O2/c1-14(2)9-8-12(17)16(14)13(18)15-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,15,18)
InChIKeyPWYPLPPRQDWDGC-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.07
Rot. Bonds2

About N-benzyl-2,2-dimethyl-5-oxopyrrole-1-carboxamide

N-benzyl-2,2-dimethyl-5-oxopyrrole-1-carboxamide (PubChem CID 145361757) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-benzyl-2,2-dimethyl-5-oxopyrrole-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-2,2-dimethyl-5-oxopyrrole-1-carboxamide
PubChem CID145361757
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-benzyl-2,2-dimethyl-5-oxopyrrole-1-carboxamide
SMILESCC1(C)C=CC(=O)N1C(=O)NCc1ccccc1
InChIInChI=1S/C14H16N2O2/c1-14(2)9-8-12(17)16(14)13(18)15-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,15,18)
InChIKeyPWYPLPPRQDWDGC-UHFFFAOYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 110755036
1-benzyl-3-methylurea;ethane
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N-benzyl-3-methyl-4-oxopiperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dimethyl-5-oxopyrrole-1-carboxamide?
The IUPAC name of N-benzyl-2,2-dimethyl-5-oxopyrrole-1-carboxamide (CID 145361757) is N-benzyl-2,2-dimethyl-5-oxopyrrole-1-carboxamide.
What is the SMILES notation for N-benzyl-2,2-dimethyl-5-oxopyrrole-1-carboxamide?
The canonical SMILES for N-benzyl-2,2-dimethyl-5-oxopyrrole-1-carboxamide is CC1(C)C=CC(=O)N1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2,2-dimethyl-5-oxopyrrole-1-carboxamide?
The InChIKey is PWYPLPPRQDWDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-14(2)9-8-12(17)16(14)13(18)15-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,15,18).
What are the key properties of N-benzyl-2,2-dimethyl-5-oxopyrrole-1-carboxamide?
N-benzyl-2,2-dimethyl-5-oxopyrrole-1-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dimethyl-5-oxopyrrole-1-carboxamide is sourced from PubChem (CID 145361757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).