N-butan-2-yl-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide

C13H24N4O — CID 62221282

IUPACN-butan-2-yl-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
SMILESCCC(C)NC(=O)Cn1ccnc1CNC(C)C
InChIInChI=1S/C13H24N4O/c1-5-11(4)16-13(18)9-17-7-6-14-12(17)8-15-10(2)3/h6-7,10-11,15H,5,8-9H2,1-4H3,(H,16,18)
InChIKeyLXMAZMMXPIWSQT-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.30
Rot. Bonds7

About N-butan-2-yl-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide

N-butan-2-yl-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide (PubChem CID 62221282) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-butan-2-yl-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
PubChem CID62221282
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-butan-2-yl-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
SMILESCCC(C)NC(=O)Cn1ccnc1CNC(C)C
InChIInChI=1S/C13H24N4O/c1-5-11(4)16-13(18)9-17-7-6-14-12(17)8-15-10(2)3/h6-7,10-11,15H,5,8-9H2,1-4H3,(H,16,18)
InChIKeyLXMAZMMXPIWSQT-UHFFFAOYSA-N
XLogP1.30
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide (CID 62221282) is N-butan-2-yl-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide is CCC(C)NC(=O)Cn1ccnc1CNC(C)C.
What is the InChIKey of N-butan-2-yl-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide?
The InChIKey is LXMAZMMXPIWSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-11(4)16-13(18)9-17-7-6-14-12(17)8-15-10(2)3/h6-7,10-11,15H,5,8-9H2,1-4H3,(H,16,18).
What are the key properties of N-butan-2-yl-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide?
N-butan-2-yl-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide has a molecular weight of 252.36 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide is sourced from PubChem (CID 62221282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).