N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide

C12H22N4O — CID 66132937

IUPACN-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide
SMILESCCCn1cncc1CNCC(=O)NC(C)C
InChIInChI=1S/C12H22N4O/c1-4-5-16-9-14-7-11(16)6-13-8-12(17)15-10(2)3/h7,9-10,13H,4-6,8H2,1-3H3,(H,15,17)
InChIKeyFKMUFMZAQWJRSZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.91
Rot. Bonds7

About N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide

N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide (PubChem CID 66132937) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide
PubChem CID66132937
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide
SMILESCCCn1cncc1CNCC(=O)NC(C)C
InChIInChI=1S/C12H22N4O/c1-4-5-16-9-14-7-11(16)6-13-8-12(17)15-10(2)3/h7,9-10,13H,4-6,8H2,1-3H3,(H,15,17)
InChIKeyFKMUFMZAQWJRSZ-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methylimidazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 62999572
2-[5-(ethylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146319
3-[(3-propylimidazol-4-yl)methylamino]propanoic acid
CID 66133554
2-[5-(methylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146321
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
CID 102696680
2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146107
3-ethyl-1-[(3-propylimidazol-4-yl)methylamino]pentan-2-ol
CID 106284688
N,2,2-trimethyl-3-[(3-propylimidazol-4-yl)methylamino]propanamide
CID 114167185
methyl (2S)-3-methyl-2-[(3-propylimidazol-4-yl)methylamino]butanoate
CID 66130342
1,1-dimethyl-3-[2-[(3-propylimidazol-4-yl)methylamino]ethyl]urea
CID 83116947
1-piperidin-1-yl-2-[(3-propylimidazol-4-yl)methylamino]propan-1-one
CID 66130168
N-butan-2-yl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]propanamide
CID 66149485

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide?
The IUPAC name of N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide (CID 66132937) is N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide?
The canonical SMILES for N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide is CCCn1cncc1CNCC(=O)NC(C)C.
What is the InChIKey of N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide?
The InChIKey is FKMUFMZAQWJRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-5-16-9-14-7-11(16)6-13-8-12(17)15-10(2)3/h7,9-10,13H,4-6,8H2,1-3H3,(H,15,17).
What are the key properties of N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide?
N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide has a molecular weight of 238.33 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide is sourced from PubChem (CID 66132937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).