2-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]butanamide

C14H25N3O2 — CID 91761842

IUPAC2-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]butanamide
SMILESCCC(OC)C(=O)NCCCn1ccnc1C(C)C
InChIInChI=1S/C14H25N3O2/c1-5-12(19-4)14(18)16-7-6-9-17-10-8-15-13(17)11(2)3/h8,10-12H,5-7,9H2,1-4H3,(H,16,18)
InChIKeyOSXTZQJGARZLRL-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.94
Rot. Bonds8

About 2-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]butanamide

2-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]butanamide (PubChem CID 91761842) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]butanamide.

Molecular Properties

Compound Name2-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]butanamide
PubChem CID91761842
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]butanamide
SMILESCCC(OC)C(=O)NCCCn1ccnc1C(C)C
InChIInChI=1S/C14H25N3O2/c1-5-12(19-4)14(18)16-7-6-9-17-10-8-15-13(17)11(2)3/h8,10-12H,5-7,9H2,1-4H3,(H,16,18)
InChIKeyOSXTZQJGARZLRL-UHFFFAOYSA-N
XLogP1.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(Cyclopropylmethoxy)-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 56802159
Acetamide, N-(3-imidazol-1-ylpropyl)-2-methoxy-
CID 3148030
N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-methylbutanamide
CID 91923937
2-ethoxy-N-(3-imidazolylpropyl)acetamide
CID 4122977
1-(1H-imidazol-2-ylmethyl)-4-(methoxyacetyl)-1,4-diazepane
CID 50952666
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-propoxyacetamide
CID 71883562
N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2,2-dimethylpropanamide
CID 75367220
3-[{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}(methyl)amino]-N-methylbutanamide
CID 77085447
2-(3-methylbutoxy)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 86772181
2-methyl-N-[2-(1-methyl-1H-imidazol-2-yl)ethyl]tetrahydrofuran-2-carboxamide
CID 91785623
2-ethoxy-N-[1-(1H-imidazol-1-ylmethyl)propyl]-2-methylpropanamide
CID 91791052
(5S)-3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95554744

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]butanamide?
The IUPAC name of 2-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]butanamide (CID 91761842) is 2-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]butanamide.
What is the SMILES notation for 2-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]butanamide?
The canonical SMILES for 2-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]butanamide is CCC(OC)C(=O)NCCCn1ccnc1C(C)C.
What is the InChIKey of 2-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]butanamide?
The InChIKey is OSXTZQJGARZLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-5-12(19-4)14(18)16-7-6-9-17-10-8-15-13(17)11(2)3/h8,10-12H,5-7,9H2,1-4H3,(H,16,18).
What are the key properties of 2-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]butanamide?
2-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]butanamide has a molecular weight of 267.37 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]butanamide is sourced from PubChem (CID 91761842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).