N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

C16H25N3O3 — CID 91787839

IUPACN-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESCO[C@@H]1CCOC[C@H]1NC(=O)CCc1n[nH]c2c1CCCC2
InChIInChI=1S/C16H25N3O3/c1-21-15-8-9-22-10-14(15)17-16(20)7-6-13-11-4-2-3-5-12(11)18-19-13/h14-15H,2-10H2,1H3,(H,17,20)(H,18,19)/t14-,15-/m1/s1
InChIKeyRXAHIFNNTBGRLQ-HUUCEWRRSA-N
MW307.39 g/mol
LogP1.14
Rot. Bonds5

About N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (PubChem CID 91787839) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
PubChem CID91787839
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESCO[C@@H]1CCOC[C@H]1NC(=O)CCc1n[nH]c2c1CCCC2
InChIInChI=1S/C16H25N3O3/c1-21-15-8-9-22-10-14(15)17-16(20)7-6-13-11-4-2-3-5-12(11)18-19-13/h14-15H,2-10H2,1H3,(H,17,20)(H,18,19)/t14-,15-/m1/s1
InChIKeyRXAHIFNNTBGRLQ-HUUCEWRRSA-N
XLogP1.14
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The IUPAC name of N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (CID 91787839) is N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.
What is the SMILES notation for N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The canonical SMILES for N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is CO[C@@H]1CCOC[C@H]1NC(=O)CCc1n[nH]c2c1CCCC2.
What is the InChIKey of N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The InChIKey is RXAHIFNNTBGRLQ-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-21-15-8-9-22-10-14(15)17-16(20)7-6-13-11-4-2-3-5-12(11)18-19-13/h14-15H,2-10H2,1H3,(H,17,20)(H,18,19)/t14-,15-/m1/s1.
What are the key properties of N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide has a molecular weight of 307.39 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is sourced from PubChem (CID 91787839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).