N-[2-[(2R)-3-hydroxy-5,5-dimethyl-1,2-dihydropyrrol-2-yl]ethyl]-3,3-dimethylbutanamide

C14H26N2O2 — CID 135196437

IUPACN-[2-[(2R)-3-hydroxy-5,5-dimethyl-1,2-dihydropyrrol-2-yl]ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC[C@H]1NC(C)(C)C=C1O
InChIInChI=1S/C14H26N2O2/c1-13(2,3)9-12(18)15-7-6-10-11(17)8-14(4,5)16-10/h8,10,16-17H,6-7,9H2,1-5H3,(H,15,18)/t10-/m1/s1
InChIKeyBNEDIZJSYKUMFG-SNVBAGLBSA-N
MW254.37 g/mol
LogP2.12
Rot. Bonds4

About N-[2-[(2R)-3-hydroxy-5,5-dimethyl-1,2-dihydropyrrol-2-yl]ethyl]-3,3-dimethylbutanamide

N-[2-[(2R)-3-hydroxy-5,5-dimethyl-1,2-dihydropyrrol-2-yl]ethyl]-3,3-dimethylbutanamide (PubChem CID 135196437) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[2-[(2R)-3-hydroxy-5,5-dimethyl-1,2-dihydropyrrol-2-yl]ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-[(2R)-3-hydroxy-5,5-dimethyl-1,2-dihydropyrrol-2-yl]ethyl]-3,3-dimethylbutanamide
PubChem CID135196437
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[2-[(2R)-3-hydroxy-5,5-dimethyl-1,2-dihydropyrrol-2-yl]ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC[C@H]1NC(C)(C)C=C1O
InChIInChI=1S/C14H26N2O2/c1-13(2,3)9-12(18)15-7-6-10-11(17)8-14(4,5)16-10/h8,10,16-17H,6-7,9H2,1-5H3,(H,15,18)/t10-/m1/s1
InChIKeyBNEDIZJSYKUMFG-SNVBAGLBSA-N
XLogP2.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-3-hydroxy-5,5-dimethyl-1,2-dihydropyrrol-2-yl]ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-[(2R)-3-hydroxy-5,5-dimethyl-1,2-dihydropyrrol-2-yl]ethyl]-3,3-dimethylbutanamide (CID 135196437) is N-[2-[(2R)-3-hydroxy-5,5-dimethyl-1,2-dihydropyrrol-2-yl]ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-[(2R)-3-hydroxy-5,5-dimethyl-1,2-dihydropyrrol-2-yl]ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-[(2R)-3-hydroxy-5,5-dimethyl-1,2-dihydropyrrol-2-yl]ethyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCC[C@H]1NC(C)(C)C=C1O.
What is the InChIKey of N-[2-[(2R)-3-hydroxy-5,5-dimethyl-1,2-dihydropyrrol-2-yl]ethyl]-3,3-dimethylbutanamide?
The InChIKey is BNEDIZJSYKUMFG-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-13(2,3)9-12(18)15-7-6-10-11(17)8-14(4,5)16-10/h8,10,16-17H,6-7,9H2,1-5H3,(H,15,18)/t10-/m1/s1.
What are the key properties of N-[2-[(2R)-3-hydroxy-5,5-dimethyl-1,2-dihydropyrrol-2-yl]ethyl]-3,3-dimethylbutanamide?
N-[2-[(2R)-3-hydroxy-5,5-dimethyl-1,2-dihydropyrrol-2-yl]ethyl]-3,3-dimethylbutanamide has a molecular weight of 254.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-3-hydroxy-5,5-dimethyl-1,2-dihydropyrrol-2-yl]ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 135196437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).