N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-3,3-dimethylbutanamide

C17H28N2O — CID 110641718

IUPACN-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-3,3-dimethylbutanamide
SMILESCc1cc(CCNC(=O)CC(C)(C)C)c(C)n1C1CC1
InChIInChI=1S/C17H28N2O/c1-12-10-14(13(2)19(12)15-6-7-15)8-9-18-16(20)11-17(3,4)5/h10,15H,6-9,11H2,1-5H3,(H,18,20)
InChIKeyKZTMUKSKSLVJGX-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.53
Rot. Bonds5

About N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-3,3-dimethylbutanamide

N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-3,3-dimethylbutanamide (PubChem CID 110641718) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-3,3-dimethylbutanamide
PubChem CID110641718
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-3,3-dimethylbutanamide
SMILESCc1cc(CCNC(=O)CC(C)(C)C)c(C)n1C1CC1
InChIInChI=1S/C17H28N2O/c1-12-10-14(13(2)19(12)15-6-7-15)8-9-18-16(20)11-17(3,4)5/h10,15H,6-9,11H2,1-5H3,(H,18,20)
InChIKeyKZTMUKSKSLVJGX-UHFFFAOYSA-N
XLogP3.53
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-3,3-dimethylbutanamide (CID 110641718) is N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-3,3-dimethylbutanamide is Cc1cc(CCNC(=O)CC(C)(C)C)c(C)n1C1CC1.
What is the InChIKey of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-3,3-dimethylbutanamide?
The InChIKey is KZTMUKSKSLVJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12-10-14(13(2)19(12)15-6-7-15)8-9-18-16(20)11-17(3,4)5/h10,15H,6-9,11H2,1-5H3,(H,18,20).
What are the key properties of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-3,3-dimethylbutanamide?
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-3,3-dimethylbutanamide has a molecular weight of 276.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 110641718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).