3,3-dimethyl-N-(3H-pyrrol-4-ylmethyl)butanamide

C11H18N2O — CID 58710755

IUPAC3,3-dimethyl-N-(3H-pyrrol-4-ylmethyl)butanamide
SMILESCC(C)(C)CC(=O)NCC1=CN=CC1
InChIInChI=1S/C11H18N2O/c1-11(2,3)6-10(14)13-8-9-4-5-12-7-9/h5,7H,4,6,8H2,1-3H3,(H,13,14)
InChIKeyUUBCIDMIQCSBGT-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.90
Rot. Bonds3

About 3,3-dimethyl-N-(3H-pyrrol-4-ylmethyl)butanamide

3,3-dimethyl-N-(3H-pyrrol-4-ylmethyl)butanamide (PubChem CID 58710755) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3,3-dimethyl-N-(3H-pyrrol-4-ylmethyl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(3H-pyrrol-4-ylmethyl)butanamide
PubChem CID58710755
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3,3-dimethyl-N-(3H-pyrrol-4-ylmethyl)butanamide
SMILESCC(C)(C)CC(=O)NCC1=CN=CC1
InChIInChI=1S/C11H18N2O/c1-11(2,3)6-10(14)13-8-9-4-5-12-7-9/h5,7H,4,6,8H2,1-3H3,(H,13,14)
InChIKeyUUBCIDMIQCSBGT-UHFFFAOYSA-N
XLogP1.90
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
CID 59561910
4-amino-N-[(E)-4-(ethylideneamino)-3-methylbut-3-enyl]butanamide
CID 144920807
N-[2-methyl-3-(3-methylbut-3-enylimino)propyl]propanamide
CID 146416578
4-amino-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
CID 146841645
5-amino-N-[2-(3H-pyrrol-4-yl)ethyl]pentanamide
CID 147982421
3,3-dimethyl-N-(3H-pyrrol-4-yl)butanamide
CID 157711722
2,2-dimethyl-N-(3H-pyrrol-4-ylmethyl)propanamide
CID 159070362
N-[2-(3H-pyrrol-4-yl)ethyl]propanamide
CID 159709332
4-amino-N-methyl-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
CID 160082015
N-(3-aminopropyl)-3H-pyrrole-4-carboxamide
CID 157298632
N-(1-amino-3-methylbutan-2-yl)-3H-pyrrole-4-carboxamide
CID 157298636

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(3H-pyrrol-4-ylmethyl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(3H-pyrrol-4-ylmethyl)butanamide (CID 58710755) is 3,3-dimethyl-N-(3H-pyrrol-4-ylmethyl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(3H-pyrrol-4-ylmethyl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(3H-pyrrol-4-ylmethyl)butanamide is CC(C)(C)CC(=O)NCC1=CN=CC1.
What is the InChIKey of 3,3-dimethyl-N-(3H-pyrrol-4-ylmethyl)butanamide?
The InChIKey is UUBCIDMIQCSBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2,3)6-10(14)13-8-9-4-5-12-7-9/h5,7H,4,6,8H2,1-3H3,(H,13,14).
What are the key properties of 3,3-dimethyl-N-(3H-pyrrol-4-ylmethyl)butanamide?
3,3-dimethyl-N-(3H-pyrrol-4-ylmethyl)butanamide has a molecular weight of 194.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(3H-pyrrol-4-ylmethyl)butanamide is sourced from PubChem (CID 58710755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).