2-amino-N-cyclopropyl-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide

C14H24N4O — CID 79813594

IUPAC2-amino-N-cyclopropyl-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
SMILESCCC(N)(CC)C(=O)N(Cc1nccn1C)C1CC1
InChIInChI=1S/C14H24N4O/c1-4-14(15,5-2)13(19)18(11-6-7-11)10-12-16-8-9-17(12)3/h8-9,11H,4-7,10,15H2,1-3H3
InChIKeyQXGJZXGGGIQVOQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.43
Rot. Bonds6

About 2-amino-N-cyclopropyl-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide

2-amino-N-cyclopropyl-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide (PubChem CID 79813594) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
PubChem CID79813594
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-amino-N-cyclopropyl-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
SMILESCCC(N)(CC)C(=O)N(Cc1nccn1C)C1CC1
InChIInChI=1S/C14H24N4O/c1-4-14(15,5-2)13(19)18(11-6-7-11)10-12-16-8-9-17(12)3/h8-9,11H,4-7,10,15H2,1-3H3
InChIKeyQXGJZXGGGIQVOQ-UHFFFAOYSA-N
XLogP1.43
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-cyclopropyl-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 64677936
2-amino-N-cyclopropyl-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 76895168
3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 103907950
4-[cyclopropyl-[(1-methylimidazol-2-yl)methyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302424
2-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide
CID 54871592
N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 3710721
(2R)-2-cyclohexyl-N-cyclopropyl-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 90652770
4-amino-N-cyclopropyl-5-ethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 62082526
3-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60946346
2-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290167
3-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60946703
3-amino-N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 61108887

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide?
The IUPAC name of 2-amino-N-cyclopropyl-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide (CID 79813594) is 2-amino-N-cyclopropyl-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide?
The canonical SMILES for 2-amino-N-cyclopropyl-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide is CCC(N)(CC)C(=O)N(Cc1nccn1C)C1CC1.
What is the InChIKey of 2-amino-N-cyclopropyl-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide?
The InChIKey is QXGJZXGGGIQVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-14(15,5-2)13(19)18(11-6-7-11)10-12-16-8-9-17(12)3/h8-9,11H,4-7,10,15H2,1-3H3.
What are the key properties of 2-amino-N-cyclopropyl-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide?
2-amino-N-cyclopropyl-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide has a molecular weight of 264.37 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide is sourced from PubChem (CID 79813594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).