2-(3-propan-2-ylimidazol-4-yl)-2-(propylamino)acetamide

C11H20N4O — CID 66163621

IUPAC2-(3-propan-2-ylimidazol-4-yl)-2-(propylamino)acetamide
SMILESCCCNC(C(N)=O)c1cncn1C(C)C
InChIInChI=1S/C11H20N4O/c1-4-5-14-10(11(12)16)9-6-13-7-15(9)8(2)3/h6-8,10,14H,4-5H2,1-3H3,(H2,12,16)
InChIKeyKOKGPVYFLXURQJ-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.99
Rot. Bonds6

About 2-(3-propan-2-ylimidazol-4-yl)-2-(propylamino)acetamide

2-(3-propan-2-ylimidazol-4-yl)-2-(propylamino)acetamide (PubChem CID 66163621) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-(3-propan-2-ylimidazol-4-yl)-2-(propylamino)acetamide.

Molecular Properties

Compound Name2-(3-propan-2-ylimidazol-4-yl)-2-(propylamino)acetamide
PubChem CID66163621
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-(3-propan-2-ylimidazol-4-yl)-2-(propylamino)acetamide
SMILESCCCNC(C(N)=O)c1cncn1C(C)C
InChIInChI=1S/C11H20N4O/c1-4-5-14-10(11(12)16)9-6-13-7-15(9)8(2)3/h6-8,10,14H,4-5H2,1-3H3,(H2,12,16)
InChIKeyKOKGPVYFLXURQJ-UHFFFAOYSA-N
XLogP0.99
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)ethylamino]-2-(3-propan-2-ylimidazol-4-yl)acetamide
CID 66163422
2-(propan-2-ylamino)-2-(3-propan-2-ylimidazol-4-yl)acetamide
CID 66162615
methyl 2-(ethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate
CID 66162019
ethyl 2-(cyclopropylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate
CID 66163023
2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)acetamide
CID 66162816
2-(2-methoxyanilino)-2-(3-propan-2-ylimidazol-4-yl)acetamide
CID 66163017
ethyl 2-formamido-3-hydroxy-3-(3-propan-2-ylimidazol-4-yl)propanoate
CID 66205117
2-[formyl(propyl)amino]-2-(3-propan-2-ylimidazol-4-yl)acetic acid
CID 66162024
methyl 2-(2-fluoroanilino)-2-(3-propan-2-ylimidazol-4-yl)acetate
CID 66162021
2-(cyclopropylmethylamino)-2-(3-ethylimidazol-4-yl)acetamide
CID 66134304
1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine
CID 66164186
ethyl 2-[2-(diethylamino)ethylamino]-2-(3-methylimidazol-4-yl)acetate
CID 66117956

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylimidazol-4-yl)-2-(propylamino)acetamide?
The IUPAC name of 2-(3-propan-2-ylimidazol-4-yl)-2-(propylamino)acetamide (CID 66163621) is 2-(3-propan-2-ylimidazol-4-yl)-2-(propylamino)acetamide.
What is the SMILES notation for 2-(3-propan-2-ylimidazol-4-yl)-2-(propylamino)acetamide?
The canonical SMILES for 2-(3-propan-2-ylimidazol-4-yl)-2-(propylamino)acetamide is CCCNC(C(N)=O)c1cncn1C(C)C.
What is the InChIKey of 2-(3-propan-2-ylimidazol-4-yl)-2-(propylamino)acetamide?
The InChIKey is KOKGPVYFLXURQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-5-14-10(11(12)16)9-6-13-7-15(9)8(2)3/h6-8,10,14H,4-5H2,1-3H3,(H2,12,16).
What are the key properties of 2-(3-propan-2-ylimidazol-4-yl)-2-(propylamino)acetamide?
2-(3-propan-2-ylimidazol-4-yl)-2-(propylamino)acetamide has a molecular weight of 224.31 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylimidazol-4-yl)-2-(propylamino)acetamide is sourced from PubChem (CID 66163621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).