2-ethyl-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pent-4-ynamide

C14H21N3O — CID 166375445

IUPAC2-ethyl-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pent-4-ynamide
SMILESC#CCC(C)(CC)C(=O)NCCc1nccn1C
InChIInChI=1S/C14H21N3O/c1-5-8-14(3,6-2)13(18)16-9-7-12-15-10-11-17(12)4/h1,10-11H,6-9H2,2-4H3,(H,16,18)
InChIKeyMJVBPDOCEOUJSO-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.52
Rot. Bonds6

About 2-ethyl-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pent-4-ynamide

2-ethyl-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pent-4-ynamide (PubChem CID 166375445) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-ethyl-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pent-4-ynamide.

Molecular Properties

Compound Name2-ethyl-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pent-4-ynamide
PubChem CID166375445
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-ethyl-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pent-4-ynamide
SMILESC#CCC(C)(CC)C(=O)NCCc1nccn1C
InChIInChI=1S/C14H21N3O/c1-5-8-14(3,6-2)13(18)16-9-7-12-15-10-11-17(12)4/h1,10-11H,6-9H2,2-4H3,(H,16,18)
InChIKeyMJVBPDOCEOUJSO-UHFFFAOYSA-N
XLogP1.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide
CID 61212990
2,2-diethyl-4-[2-(1-methylimidazol-2-yl)ethylamino]-4-oxobutanoic acid
CID 61215314
3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine
CID 106328740
3-[2-(1-methylimidazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 62232290
2-methyl-1-[2-(1-methylimidazol-2-yl)ethylamino]butan-2-ol
CID 114493001
1-[2-(1-methylimidazol-2-yl)ethyl]-3-propylthiourea
CID 116508135
4,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-5-carboxamide
CID 122555866
2-ethylsulfonyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 51102554
2-(butan-2-ylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 61210159
N'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 107445440
3-chloro-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 63666126
(2R)-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 97218671

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pent-4-ynamide?
The IUPAC name of 2-ethyl-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pent-4-ynamide (CID 166375445) is 2-ethyl-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pent-4-ynamide.
What is the SMILES notation for 2-ethyl-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pent-4-ynamide?
The canonical SMILES for 2-ethyl-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pent-4-ynamide is C#CCC(C)(CC)C(=O)NCCc1nccn1C.
What is the InChIKey of 2-ethyl-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pent-4-ynamide?
The InChIKey is MJVBPDOCEOUJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-5-8-14(3,6-2)13(18)16-9-7-12-15-10-11-17(12)4/h1,10-11H,6-9H2,2-4H3,(H,16,18).
What are the key properties of 2-ethyl-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pent-4-ynamide?
2-ethyl-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pent-4-ynamide has a molecular weight of 247.34 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pent-4-ynamide is sourced from PubChem (CID 166375445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).