N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-4-pyrazolidin-4-ylbutanamide

C19H29N3O3 — CID 133268380

IUPACN-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-4-pyrazolidin-4-ylbutanamide
SMILESO=C(CCCC1CNNC1)N[C@@H]1CCOC[C@H]1OCc1ccccc1
InChIInChI=1S/C19H29N3O3/c23-19(8-4-7-16-11-20-21-12-16)22-17-9-10-24-14-18(17)25-13-15-5-2-1-3-6-15/h1-3,5-6,16-18,20-21H,4,7-14H2,(H,22,23)/t17-,18-/m1/s1
InChIKeyYKOBTEZYDGOVGY-QZTJIDSGSA-N
MW347.46 g/mol
LogP1.37
Rot. Bonds8

About N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-4-pyrazolidin-4-ylbutanamide

N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-4-pyrazolidin-4-ylbutanamide (PubChem CID 133268380) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-4-pyrazolidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-4-pyrazolidin-4-ylbutanamide
PubChem CID133268380
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-4-pyrazolidin-4-ylbutanamide
SMILESO=C(CCCC1CNNC1)N[C@@H]1CCOC[C@H]1OCc1ccccc1
InChIInChI=1S/C19H29N3O3/c23-19(8-4-7-16-11-20-21-12-16)22-17-9-10-24-14-18(17)25-13-15-5-2-1-3-6-15/h1-3,5-6,16-18,20-21H,4,7-14H2,(H,22,23)/t17-,18-/m1/s1
InChIKeyYKOBTEZYDGOVGY-QZTJIDSGSA-N
XLogP1.37
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-3-piperidin-1-ylpropanamide
CID 91766954
3-(oxazinan-2-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
CID 91795731
2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
CID 91760467
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-thiophen-2-ylacetamide
CID 91771876
3-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
CID 91793611
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-piperidin-1-ylacetamide
CID 91786681
2-(methanesulfonamido)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
CID 91782131
3-(3-chloro-1,2-oxazol-5-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
CID 91790407
3-(2-amino-1,3-thiazol-4-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
CID 91761236
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-pyrazin-2-ylacetamide
CID 91792659
4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91795848
3-hydroxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-2-carboxamide
CID 91768844

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-4-pyrazolidin-4-ylbutanamide?
The IUPAC name of N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-4-pyrazolidin-4-ylbutanamide (CID 133268380) is N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-4-pyrazolidin-4-ylbutanamide.
What is the SMILES notation for N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-4-pyrazolidin-4-ylbutanamide?
The canonical SMILES for N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-4-pyrazolidin-4-ylbutanamide is O=C(CCCC1CNNC1)N[C@@H]1CCOC[C@H]1OCc1ccccc1.
What is the InChIKey of N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-4-pyrazolidin-4-ylbutanamide?
The InChIKey is YKOBTEZYDGOVGY-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H29N3O3/c23-19(8-4-7-16-11-20-21-12-16)22-17-9-10-24-14-18(17)25-13-15-5-2-1-3-6-15/h1-3,5-6,16-18,20-21H,4,7-14H2,(H,22,23)/t17-,18-/m1/s1.
What are the key properties of N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-4-pyrazolidin-4-ylbutanamide?
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-4-pyrazolidin-4-ylbutanamide has a molecular weight of 347.46 g/mol, XLogP of 1.37, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-4-pyrazolidin-4-ylbutanamide is sourced from PubChem (CID 133268380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).