2-(methylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide

C16H22N4O — CID 120703872

IUPAC2-(methylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
SMILESCNCC(=O)Nc1cccc(Cn2ccnc2C(C)C)c1
InChIInChI=1S/C16H22N4O/c1-12(2)16-18-7-8-20(16)11-13-5-4-6-14(9-13)19-15(21)10-17-3/h4-9,12,17H,10-11H2,1-3H3,(H,19,21)
InChIKeyJUQRXFBAGGWEDD-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.21
Rot. Bonds6

About 2-(methylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide

2-(methylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide (PubChem CID 120703872) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(methylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
PubChem CID120703872
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-(methylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
SMILESCNCC(=O)Nc1cccc(Cn2ccnc2C(C)C)c1
InChIInChI=1S/C16H22N4O/c1-12(2)16-18-7-8-20(16)11-13-5-4-6-14(9-13)19-15(21)10-17-3/h4-9,12,17H,10-11H2,1-3H3,(H,19,21)
InChIKeyJUQRXFBAGGWEDD-UHFFFAOYSA-N
XLogP2.21
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyethylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide;dihydrochloride
CID 119855845
(2R)-2-amino-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride
CID 119855817
3-(4-fluorophenyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide
CID 55858307
2-(1-hydroxycyclopentyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 111430663
2-cyclopentyloxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 47059184
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 55967727
(2S)-2-amino-4-methyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pentanamide
CID 119855852
N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 55858949
(3R)-3-hydroxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide
CID 111431403
2,3-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]quinoxaline-6-carboxamide
CID 55857928
2,4-dichloro-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide
CID 55859713
N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 55857924

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide (CID 120703872) is 2-(methylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide is CNCC(=O)Nc1cccc(Cn2ccnc2C(C)C)c1.
What is the InChIKey of 2-(methylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide?
The InChIKey is JUQRXFBAGGWEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(2)16-18-7-8-20(16)11-13-5-4-6-14(9-13)19-15(21)10-17-3/h4-9,12,17H,10-11H2,1-3H3,(H,19,21).
What are the key properties of 2-(methylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide?
2-(methylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 120703872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).