N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]prop-2-enamide

C11H17N3O — CID 166406040

IUPACN-[2-methyl-1-(1-methylimidazol-2-yl)propyl]prop-2-enamide
SMILESC=CC(=O)NC(c1nccn1C)C(C)C
InChIInChI=1S/C11H17N3O/c1-5-9(15)13-10(8(2)3)11-12-6-7-14(11)4/h5-8,10H,1H2,2-4H3,(H,13,15)
InChIKeyCGRXCDGDFZTHJA-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.42
Rot. Bonds4

About N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]prop-2-enamide

N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]prop-2-enamide (PubChem CID 166406040) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-methyl-1-(1-methylimidazol-2-yl)propyl]prop-2-enamide
PubChem CID166406040
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-[2-methyl-1-(1-methylimidazol-2-yl)propyl]prop-2-enamide
SMILESC=CC(=O)NC(c1nccn1C)C(C)C
InChIInChI=1S/C11H17N3O/c1-5-9(15)13-10(8(2)3)11-12-6-7-14(11)4/h5-8,10H,1H2,2-4H3,(H,13,15)
InChIKeyCGRXCDGDFZTHJA-UHFFFAOYSA-N
XLogP1.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 125446155
3-hydroxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide
CID 122560977
3-hydroxy-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide
CID 125439120
N-[2-[[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]carbamoylamino]ethyl]acetamide
CID 125448282
N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1H-pyrazole-4-carboxamide
CID 125441329
4-chloro-1-methyl-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrole-2-carboxamide
CID 125437179
2-(2-methoxyethoxy)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 118787632
1-[2-(methanesulfonamido)ethyl]-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]urea
CID 122565254
N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 122562082
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 125436681
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 122558009
4-(4-amino-3-pyridinyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]benzamide
CID 126432546

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]prop-2-enamide?
The IUPAC name of N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]prop-2-enamide (CID 166406040) is N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]prop-2-enamide.
What is the SMILES notation for N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]prop-2-enamide?
The canonical SMILES for N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]prop-2-enamide is C=CC(=O)NC(c1nccn1C)C(C)C.
What is the InChIKey of N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]prop-2-enamide?
The InChIKey is CGRXCDGDFZTHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-5-9(15)13-10(8(2)3)11-12-6-7-14(11)4/h5-8,10H,1H2,2-4H3,(H,13,15).
What are the key properties of N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]prop-2-enamide?
N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]prop-2-enamide has a molecular weight of 207.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]prop-2-enamide is sourced from PubChem (CID 166406040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).