2-(hydroxymethyl)-3-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide

C14H24N2O2 — CID 115187443

IUPAC2-(hydroxymethyl)-3-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
SMILESCC(C)C(CO)C(=O)NCC(C)(C)c1cc[nH]c1
InChIInChI=1S/C14H24N2O2/c1-10(2)12(8-17)13(18)16-9-14(3,4)11-5-6-15-7-11/h5-7,10,12,15,17H,8-9H2,1-4H3,(H,16,18)
InChIKeyBIOSGIVEOASJMB-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.67
Rot. Bonds6

About 2-(hydroxymethyl)-3-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide

2-(hydroxymethyl)-3-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide (PubChem CID 115187443) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
PubChem CID115187443
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-(hydroxymethyl)-3-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
SMILESCC(C)C(CO)C(=O)NCC(C)(C)c1cc[nH]c1
InChIInChI=1S/C14H24N2O2/c1-10(2)12(8-17)13(18)16-9-14(3,4)11-5-6-15-7-11/h5-7,10,12,15,17H,8-9H2,1-4H3,(H,16,18)
InChIKeyBIOSGIVEOASJMB-UHFFFAOYSA-N
XLogP1.67
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-(hydroxymethyl)-3-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-(methylaminomethyl)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
CID 115187811
3-amino-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide
CID 115153925
2-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]carbamoyl]butanoic acid
CID 115186116
2-hydroxy-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide
CID 115179044
(2S)-2-(hydroxymethyl)-N-[(2R)-2-hydroxy-2-phenylpropyl]-3-methylbutanamide
CID 99787425
[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methanol
CID 115229652
3,3-dimethyl-4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]-4-oxobutanoic acid
CID 115164919
4-(methylamino)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
CID 115155852
3-amino-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]cyclobutane-1-carboxamide
CID 115161762
2,2-dimethyl-4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]butanoic acid
CID 115221241
3-methyl-2-(methylaminomethyl)-N-(1H-pyrrol-3-yl)butanamide
CID 115187638
1-N,2-dimethyl-2-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propane-1,2-diamine
CID 115133067

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide?
The IUPAC name of 2-(hydroxymethyl)-3-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide (CID 115187443) is 2-(hydroxymethyl)-3-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide.
What is the SMILES notation for 2-(hydroxymethyl)-3-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide?
The canonical SMILES for 2-(hydroxymethyl)-3-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide is CC(C)C(CO)C(=O)NCC(C)(C)c1cc[nH]c1.
What is the InChIKey of 2-(hydroxymethyl)-3-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide?
The InChIKey is BIOSGIVEOASJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(2)12(8-17)13(18)16-9-14(3,4)11-5-6-15-7-11/h5-7,10,12,15,17H,8-9H2,1-4H3,(H,16,18).
What are the key properties of 2-(hydroxymethyl)-3-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide?
2-(hydroxymethyl)-3-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide has a molecular weight of 252.36 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide is sourced from PubChem (CID 115187443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).