(2S)-2-(cyclopropylmethoxy)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]propanamide

C16H25N3O3 — CID 129335309

IUPAC(2S)-2-(cyclopropylmethoxy)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]propanamide
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)[C@H](C)OCC1CC1
InChIInChI=1S/C16H25N3O3/c1-3-19-8-7-17-15(19)14-13(6-9-21-14)18-16(20)11(2)22-10-12-4-5-12/h7-8,11-14H,3-6,9-10H2,1-2H3,(H,18,20)/t11-,13-,14-/m0/s1
InChIKeyOZYRDABWVMWQSM-UBHSHLNASA-N
MW307.39 g/mol
LogP1.66
Rot. Bonds7

About (2S)-2-(cyclopropylmethoxy)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]propanamide

(2S)-2-(cyclopropylmethoxy)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]propanamide (PubChem CID 129335309) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is (2S)-2-(cyclopropylmethoxy)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(cyclopropylmethoxy)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]propanamide
PubChem CID129335309
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name(2S)-2-(cyclopropylmethoxy)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]propanamide
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)[C@H](C)OCC1CC1
InChIInChI=1S/C16H25N3O3/c1-3-19-8-7-17-15(19)14-13(6-9-21-14)18-16(20)11(2)22-10-12-4-5-12/h7-8,11-14H,3-6,9-10H2,1-2H3,(H,18,20)/t11-,13-,14-/m0/s1
InChIKeyOZYRDABWVMWQSM-UBHSHLNASA-N
XLogP1.66
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclopropylmethoxy)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]propanamide?
The IUPAC name of (2S)-2-(cyclopropylmethoxy)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]propanamide (CID 129335309) is (2S)-2-(cyclopropylmethoxy)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]propanamide.
What is the SMILES notation for (2S)-2-(cyclopropylmethoxy)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]propanamide?
The canonical SMILES for (2S)-2-(cyclopropylmethoxy)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]propanamide is CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)[C@H](C)OCC1CC1.
What is the InChIKey of (2S)-2-(cyclopropylmethoxy)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]propanamide?
The InChIKey is OZYRDABWVMWQSM-UBHSHLNASA-N. The full InChI is InChI=1S/C16H25N3O3/c1-3-19-8-7-17-15(19)14-13(6-9-21-14)18-16(20)11(2)22-10-12-4-5-12/h7-8,11-14H,3-6,9-10H2,1-2H3,(H,18,20)/t11-,13-,14-/m0/s1.
What are the key properties of (2S)-2-(cyclopropylmethoxy)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]propanamide?
(2S)-2-(cyclopropylmethoxy)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]propanamide has a molecular weight of 307.39 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclopropylmethoxy)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]propanamide is sourced from PubChem (CID 129335309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).