N-(2-methylbutan-2-yl)-2-[(1-methylimidazol-2-yl)methylamino]propanamide

C13H24N4O — CID 63295598

IUPACN-(2-methylbutan-2-yl)-2-[(1-methylimidazol-2-yl)methylamino]propanamide
SMILESCCC(C)(C)NC(=O)C(C)NCc1nccn1C
InChIInChI=1S/C13H24N4O/c1-6-13(3,4)16-12(18)10(2)15-9-11-14-7-8-17(11)5/h7-8,10,15H,6,9H2,1-5H3,(H,16,18)
InChIKeyWHBFVVBUBQROFB-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.20
Rot. Bonds6

About N-(2-methylbutan-2-yl)-2-[(1-methylimidazol-2-yl)methylamino]propanamide

N-(2-methylbutan-2-yl)-2-[(1-methylimidazol-2-yl)methylamino]propanamide (PubChem CID 63295598) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-[(1-methylimidazol-2-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-[(1-methylimidazol-2-yl)methylamino]propanamide
PubChem CID63295598
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(2-methylbutan-2-yl)-2-[(1-methylimidazol-2-yl)methylamino]propanamide
SMILESCCC(C)(C)NC(=O)C(C)NCc1nccn1C
InChIInChI=1S/C13H24N4O/c1-6-13(3,4)16-12(18)10(2)15-9-11-14-7-8-17(11)5/h7-8,10,15H,6,9H2,1-5H3,(H,16,18)
InChIKeyWHBFVVBUBQROFB-UHFFFAOYSA-N
XLogP1.20
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 60696120
(2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-2-[(1-methylimidazol-2-yl)methylamino]butanamide
CID 58012732
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454
2-(ethylamino)-N-(2-methylbutan-2-yl)propanamide
CID 43112409
2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 76994588
3-chloro-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 63666126
N-(2-methylbutan-2-yl)-2-[(3-methyl-4-pyridinyl)methylamino]propanamide
CID 114699824
2-methoxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 115610745
N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
CID 43088152
(2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 79013544
1-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 64918015

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-[(1-methylimidazol-2-yl)methylamino]propanamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-[(1-methylimidazol-2-yl)methylamino]propanamide (CID 63295598) is N-(2-methylbutan-2-yl)-2-[(1-methylimidazol-2-yl)methylamino]propanamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-[(1-methylimidazol-2-yl)methylamino]propanamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-[(1-methylimidazol-2-yl)methylamino]propanamide is CCC(C)(C)NC(=O)C(C)NCc1nccn1C.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-[(1-methylimidazol-2-yl)methylamino]propanamide?
The InChIKey is WHBFVVBUBQROFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-13(3,4)16-12(18)10(2)15-9-11-14-7-8-17(11)5/h7-8,10,15H,6,9H2,1-5H3,(H,16,18).
What are the key properties of N-(2-methylbutan-2-yl)-2-[(1-methylimidazol-2-yl)methylamino]propanamide?
N-(2-methylbutan-2-yl)-2-[(1-methylimidazol-2-yl)methylamino]propanamide has a molecular weight of 252.36 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-[(1-methylimidazol-2-yl)methylamino]propanamide is sourced from PubChem (CID 63295598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).