2-(4-tert-butylimidazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide

C16H28N4O — CID 58790053

IUPAC2-(4-tert-butylimidazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
SMILESCC(C)(C)c1cn(CC(=O)NCCCN2CCCC2)cn1
InChIInChI=1S/C16H28N4O/c1-16(2,3)14-11-20(13-18-14)12-15(21)17-7-6-10-19-8-4-5-9-19/h11,13H,4-10,12H2,1-3H3,(H,17,21)
InChIKeyURYLOESZEHWPLE-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.78
Rot. Bonds6

About 2-(4-tert-butylimidazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide

2-(4-tert-butylimidazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide (PubChem CID 58790053) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-(4-tert-butylimidazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylimidazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
PubChem CID58790053
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-(4-tert-butylimidazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
SMILESCC(C)(C)c1cn(CC(=O)NCCCN2CCCC2)cn1
InChIInChI=1S/C16H28N4O/c1-16(2,3)14-11-20(13-18-14)12-15(21)17-7-6-10-19-8-4-5-9-19/h11,13H,4-10,12H2,1-3H3,(H,17,21)
InChIKeyURYLOESZEHWPLE-UHFFFAOYSA-N
XLogP1.78
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid
CID 62933528
2-(methylamino)-N-(3-piperidin-1-ylpropyl)acetamide
CID 43362949
2-bromo-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 114327405
3-(tert-butylamino)-N-(3-piperidin-1-ylpropyl)propanamide
CID 60851294
N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 60668593
2-[4,7-bis(carboxymethyl)-10-[2-oxo-2-(6-pyrrolidin-1-ylhexylamino)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 167457655
1-tert-butyl-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide
CID 51085868
2-(5-amino-2-oxo-1-pyridinyl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 62817039
2-imidazol-1-yl-N-(2-piperidin-1-ylethyl)acetamide
CID 139978601
5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid
CID 43579827
N-[3-(azepan-1-yl)propyl]-2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3660976
3-tert-butyl-1-methyl-N-(3-piperazin-1-ylpropyl)pyrazole-5-carboxamide
CID 119393784

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylimidazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The IUPAC name of 2-(4-tert-butylimidazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide (CID 58790053) is 2-(4-tert-butylimidazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-tert-butylimidazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(4-tert-butylimidazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide is CC(C)(C)c1cn(CC(=O)NCCCN2CCCC2)cn1.
What is the InChIKey of 2-(4-tert-butylimidazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The InChIKey is URYLOESZEHWPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-16(2,3)14-11-20(13-18-14)12-15(21)17-7-6-10-19-8-4-5-9-19/h11,13H,4-10,12H2,1-3H3,(H,17,21).
What are the key properties of 2-(4-tert-butylimidazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide?
2-(4-tert-butylimidazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide has a molecular weight of 292.43 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylimidazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide is sourced from PubChem (CID 58790053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).