4-imidazol-1-yl-N-[(3S,4S)-4-methoxyoxan-3-yl]butanamide

C13H21N3O3 — CID 164631965

IUPAC4-imidazol-1-yl-N-[(3S,4S)-4-methoxyoxan-3-yl]butanamide
SMILESCO[C@H]1CCOC[C@@H]1NC(=O)CCCn1ccnc1
InChIInChI=1S/C13H21N3O3/c1-18-12-4-8-19-9-11(12)15-13(17)3-2-6-16-7-5-14-10-16/h5,7,10-12H,2-4,6,8-9H2,1H3,(H,15,17)/t11-,12-/m0/s1
InChIKeyHSSROQRPJGLKIB-RYUDHWBXSA-N
MW267.33 g/mol
LogP0.58
Rot. Bonds6

About 4-imidazol-1-yl-N-[(3S,4S)-4-methoxyoxan-3-yl]butanamide

4-imidazol-1-yl-N-[(3S,4S)-4-methoxyoxan-3-yl]butanamide (PubChem CID 164631965) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-[(3S,4S)-4-methoxyoxan-3-yl]butanamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-[(3S,4S)-4-methoxyoxan-3-yl]butanamide
PubChem CID164631965
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-imidazol-1-yl-N-[(3S,4S)-4-methoxyoxan-3-yl]butanamide
SMILESCO[C@H]1CCOC[C@@H]1NC(=O)CCCn1ccnc1
InChIInChI=1S/C13H21N3O3/c1-18-12-4-8-19-9-11(12)15-13(17)3-2-6-16-7-5-14-10-16/h5,7,10-12H,2-4,6,8-9H2,1H3,(H,15,17)/t11-,12-/m0/s1
InChIKeyHSSROQRPJGLKIB-RYUDHWBXSA-N
XLogP0.58
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-[(3S,4S)-4-methoxyoxan-3-yl]butanamide?
The IUPAC name of 4-imidazol-1-yl-N-[(3S,4S)-4-methoxyoxan-3-yl]butanamide (CID 164631965) is 4-imidazol-1-yl-N-[(3S,4S)-4-methoxyoxan-3-yl]butanamide.
What is the SMILES notation for 4-imidazol-1-yl-N-[(3S,4S)-4-methoxyoxan-3-yl]butanamide?
The canonical SMILES for 4-imidazol-1-yl-N-[(3S,4S)-4-methoxyoxan-3-yl]butanamide is CO[C@H]1CCOC[C@@H]1NC(=O)CCCn1ccnc1.
What is the InChIKey of 4-imidazol-1-yl-N-[(3S,4S)-4-methoxyoxan-3-yl]butanamide?
The InChIKey is HSSROQRPJGLKIB-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-18-12-4-8-19-9-11(12)15-13(17)3-2-6-16-7-5-14-10-16/h5,7,10-12H,2-4,6,8-9H2,1H3,(H,15,17)/t11-,12-/m0/s1.
What are the key properties of 4-imidazol-1-yl-N-[(3S,4S)-4-methoxyoxan-3-yl]butanamide?
4-imidazol-1-yl-N-[(3S,4S)-4-methoxyoxan-3-yl]butanamide has a molecular weight of 267.33 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-[(3S,4S)-4-methoxyoxan-3-yl]butanamide is sourced from PubChem (CID 164631965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).