2-methyl-N-propan-2-yl-3-(3H-pyrrol-4-yl)propanamide

C11H18N2O — CID 167651759

IUPAC2-methyl-N-propan-2-yl-3-(3H-pyrrol-4-yl)propanamide
SMILESCC(C)NC(=O)C(C)CC1=CN=CC1
InChIInChI=1S/C11H18N2O/c1-8(2)13-11(14)9(3)6-10-4-5-12-7-10/h5,7-9H,4,6H2,1-3H3,(H,13,14)
InChIKeyQRDSDJHVVCOZLB-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.90
Rot. Bonds4

About 2-methyl-N-propan-2-yl-3-(3H-pyrrol-4-yl)propanamide

2-methyl-N-propan-2-yl-3-(3H-pyrrol-4-yl)propanamide (PubChem CID 167651759) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-3-(3H-pyrrol-4-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-3-(3H-pyrrol-4-yl)propanamide
PubChem CID167651759
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-methyl-N-propan-2-yl-3-(3H-pyrrol-4-yl)propanamide
SMILESCC(C)NC(=O)C(C)CC1=CN=CC1
InChIInChI=1S/C11H18N2O/c1-8(2)13-11(14)9(3)6-10-4-5-12-7-10/h5,7-9H,4,6H2,1-3H3,(H,13,14)
InChIKeyQRDSDJHVVCOZLB-UHFFFAOYSA-N
XLogP1.90
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-3-(3H-pyrrol-4-yl)propanamide?
The IUPAC name of 2-methyl-N-propan-2-yl-3-(3H-pyrrol-4-yl)propanamide (CID 167651759) is 2-methyl-N-propan-2-yl-3-(3H-pyrrol-4-yl)propanamide.
What is the SMILES notation for 2-methyl-N-propan-2-yl-3-(3H-pyrrol-4-yl)propanamide?
The canonical SMILES for 2-methyl-N-propan-2-yl-3-(3H-pyrrol-4-yl)propanamide is CC(C)NC(=O)C(C)CC1=CN=CC1.
What is the InChIKey of 2-methyl-N-propan-2-yl-3-(3H-pyrrol-4-yl)propanamide?
The InChIKey is QRDSDJHVVCOZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)13-11(14)9(3)6-10-4-5-12-7-10/h5,7-9H,4,6H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-N-propan-2-yl-3-(3H-pyrrol-4-yl)propanamide?
2-methyl-N-propan-2-yl-3-(3H-pyrrol-4-yl)propanamide has a molecular weight of 194.28 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-3-(3H-pyrrol-4-yl)propanamide is sourced from PubChem (CID 167651759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).