N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide

C14H26N4O — CID 62222704

IUPACN-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
SMILESCC(C)NCc1nccn1CC(=O)NC(C)C(C)C
InChIInChI=1S/C14H26N4O/c1-10(2)12(5)17-14(19)9-18-7-6-15-13(18)8-16-11(3)4/h6-7,10-12,16H,8-9H2,1-5H3,(H,17,19)
InChIKeyQDRLTENSKHHMOJ-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.54
Rot. Bonds7

About N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide

N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide (PubChem CID 62222704) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
PubChem CID62222704
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
SMILESCC(C)NCc1nccn1CC(=O)NC(C)C(C)C
InChIInChI=1S/C14H26N4O/c1-10(2)12(5)17-14(19)9-18-7-6-15-13(18)8-16-11(3)4/h6-7,10-12,16H,8-9H2,1-5H3,(H,17,19)
InChIKeyQDRLTENSKHHMOJ-UHFFFAOYSA-N
XLogP1.54
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide (CID 62222704) is N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide is CC(C)NCc1nccn1CC(=O)NC(C)C(C)C.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide?
The InChIKey is QDRLTENSKHHMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-10(2)12(5)17-14(19)9-18-7-6-15-13(18)8-16-11(3)4/h6-7,10-12,16H,8-9H2,1-5H3,(H,17,19).
What are the key properties of N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide?
N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide has a molecular weight of 266.39 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide is sourced from PubChem (CID 62222704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).