2,2-dimethyl-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propanamide

C15H26N4O — CID 56711026

IUPAC2,2-dimethyl-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
SMILESCc1ncc(CN2CCC(CNC(=O)C(C)(C)C)C2)[nH]1
InChIInChI=1S/C15H26N4O/c1-11-16-8-13(18-11)10-19-6-5-12(9-19)7-17-14(20)15(2,3)4/h8,12H,5-7,9-10H2,1-4H3,(H,16,18)(H,17,20)
InChIKeyUEAMPBXEDJDFMV-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.70
Rot. Bonds4

About 2,2-dimethyl-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propanamide

2,2-dimethyl-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propanamide (PubChem CID 56711026) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
PubChem CID56711026
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2,2-dimethyl-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
SMILESCc1ncc(CN2CCC(CNC(=O)C(C)(C)C)C2)[nH]1
InChIInChI=1S/C15H26N4O/c1-11-16-8-13(18-11)10-19-6-5-12(9-19)7-17-14(20)15(2,3)4/h8,12H,5-7,9-10H2,1-4H3,(H,16,18)(H,17,20)
InChIKeyUEAMPBXEDJDFMV-UHFFFAOYSA-N
XLogP1.70
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-[[(3S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95199379
2-methoxy-N-[[(3S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95192212
N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 56710034
3-hydroxy-N-[[(3R)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-2-carboxamide
CID 95199898
N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]furan-3-carboxamide
CID 131939771
N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 131893384
2,2-dimethyl-N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 95193385
2,2-dimethyl-N-[[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 95202302
2-(2-chloro-6-fluorophenyl)-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide
CID 131924794
N-[[(3S)-1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-2-methylpropanamide
CID 95208919
N-[[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide
CID 95209222
2,2-dimethyl-N-[[(3R)-1-(quinolin-4-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 95210439

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propanamide (CID 56711026) is 2,2-dimethyl-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propanamide is Cc1ncc(CN2CCC(CNC(=O)C(C)(C)C)C2)[nH]1.
What is the InChIKey of 2,2-dimethyl-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propanamide?
The InChIKey is UEAMPBXEDJDFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11-16-8-13(18-11)10-19-6-5-12(9-19)7-17-14(20)15(2,3)4/h8,12H,5-7,9-10H2,1-4H3,(H,16,18)(H,17,20).
What are the key properties of 2,2-dimethyl-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propanamide?
2,2-dimethyl-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propanamide has a molecular weight of 278.40 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propanamide is sourced from PubChem (CID 56711026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).