2-(butan-2-ylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide

C12H22N4O — CID 61210159

IUPAC2-(butan-2-ylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
SMILESCCC(C)NCC(=O)NCCc1nccn1C
InChIInChI=1S/C12H22N4O/c1-4-10(2)15-9-12(17)14-6-5-11-13-7-8-16(11)3/h7-8,10,15H,4-6,9H2,1-3H3,(H,14,17)
InChIKeyGNGJAXPGKJTAKO-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.47
Rot. Bonds7

About 2-(butan-2-ylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide

2-(butan-2-ylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide (PubChem CID 61210159) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
PubChem CID61210159
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-(butan-2-ylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
SMILESCCC(C)NCC(=O)NCCc1nccn1C
InChIInChI=1S/C12H22N4O/c1-4-10(2)15-9-12(17)14-6-5-11-13-7-8-16(11)3/h7-8,10,15H,4-6,9H2,1-3H3,(H,14,17)
InChIKeyGNGJAXPGKJTAKO-UHFFFAOYSA-N
XLogP0.47
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(1-methylimidazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 62232290
2,2-diethyl-4-[2-(1-methylimidazol-2-yl)ethylamino]-4-oxobutanoic acid
CID 61215314
2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide
CID 26058062
(2R)-2-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 78977343
3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-2-amine
CID 61213705
(2R)-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 97218671
2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476101
ethyl 2-[2-(1-methylimidazol-2-yl)ethylamino]butanoate
CID 64669742
2-(2-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476005
3-[ethyl-[2-(1-methylimidazol-2-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62854114
1-[2-(1-methylimidazol-2-yl)ethyl]-3-propylthiourea
CID 116508135
N-[(1-methylimidazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 63293461

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide (CID 61210159) is 2-(butan-2-ylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide is CCC(C)NCC(=O)NCCc1nccn1C.
What is the InChIKey of 2-(butan-2-ylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide?
The InChIKey is GNGJAXPGKJTAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-10(2)15-9-12(17)14-6-5-11-13-7-8-16(11)3/h7-8,10,15H,4-6,9H2,1-3H3,(H,14,17).
What are the key properties of 2-(butan-2-ylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide?
2-(butan-2-ylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide has a molecular weight of 238.33 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 61210159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).