N',N'-dimethyl-N-[(1-propylimidazol-2-yl)methyl]butanediamide

C13H22N4O2 — CID 91781373

IUPACN',N'-dimethyl-N-[(1-propylimidazol-2-yl)methyl]butanediamide
SMILESCCCn1ccnc1CNC(=O)CCC(=O)N(C)C
InChIInChI=1S/C13H22N4O2/c1-4-8-17-9-7-14-11(17)10-15-12(18)5-6-13(19)16(2)3/h7,9H,4-6,8,10H2,1-3H3,(H,15,18)
InChIKeyLXJQHOHNVMUDEG-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.78
Rot. Bonds7

About N',N'-dimethyl-N-[(1-propylimidazol-2-yl)methyl]butanediamide

N',N'-dimethyl-N-[(1-propylimidazol-2-yl)methyl]butanediamide (PubChem CID 91781373) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(1-propylimidazol-2-yl)methyl]butanediamide.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(1-propylimidazol-2-yl)methyl]butanediamide
PubChem CID91781373
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN',N'-dimethyl-N-[(1-propylimidazol-2-yl)methyl]butanediamide
SMILESCCCn1ccnc1CNC(=O)CCC(=O)N(C)C
InChIInChI=1S/C13H22N4O2/c1-4-8-17-9-7-14-11(17)10-15-12(18)5-6-13(19)16(2)3/h7,9H,4-6,8,10H2,1-3H3,(H,15,18)
InChIKeyLXJQHOHNVMUDEG-UHFFFAOYSA-N
XLogP0.78
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(1-propylimidazol-2-yl)methyl]butanediamide?
The IUPAC name of N',N'-dimethyl-N-[(1-propylimidazol-2-yl)methyl]butanediamide (CID 91781373) is N',N'-dimethyl-N-[(1-propylimidazol-2-yl)methyl]butanediamide.
What is the SMILES notation for N',N'-dimethyl-N-[(1-propylimidazol-2-yl)methyl]butanediamide?
The canonical SMILES for N',N'-dimethyl-N-[(1-propylimidazol-2-yl)methyl]butanediamide is CCCn1ccnc1CNC(=O)CCC(=O)N(C)C.
What is the InChIKey of N',N'-dimethyl-N-[(1-propylimidazol-2-yl)methyl]butanediamide?
The InChIKey is LXJQHOHNVMUDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-8-17-9-7-14-11(17)10-15-12(18)5-6-13(19)16(2)3/h7,9H,4-6,8,10H2,1-3H3,(H,15,18).
What are the key properties of N',N'-dimethyl-N-[(1-propylimidazol-2-yl)methyl]butanediamide?
N',N'-dimethyl-N-[(1-propylimidazol-2-yl)methyl]butanediamide has a molecular weight of 266.34 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(1-propylimidazol-2-yl)methyl]butanediamide is sourced from PubChem (CID 91781373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).