3-[bis[[(2R)-oxolan-2-yl]methyl]amino]-N-(3-fluorophenyl)propanamide

C19H27FN2O3 — CID 51952632

IUPAC3-[bis[[(2R)-oxolan-2-yl]methyl]amino]-N-(3-fluorophenyl)propanamide
SMILESO=C(CCN(C[C@H]1CCCO1)C[C@H]1CCCO1)Nc1cccc(F)c1
InChIInChI=1S/C19H27FN2O3/c20-15-4-1-5-16(12-15)21-19(23)8-9-22(13-17-6-2-10-24-17)14-18-7-3-11-25-18/h1,4-5,12,17-18H,2-3,6-11,13-14H2,(H,21,23)/t17-,18-/m1/s1
InChIKeyJGUPKDXCEBBLMT-QZTJIDSGSA-N
MW350.43 g/mol
LogP2.81
Rot. Bonds8

About 3-[bis[[(2R)-oxolan-2-yl]methyl]amino]-N-(3-fluorophenyl)propanamide

3-[bis[[(2R)-oxolan-2-yl]methyl]amino]-N-(3-fluorophenyl)propanamide (PubChem CID 51952632) has the molecular formula C19H27FN2O3 and a molecular weight of 350.43 g/mol. Its IUPAC name is 3-[bis[[(2R)-oxolan-2-yl]methyl]amino]-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[bis[[(2R)-oxolan-2-yl]methyl]amino]-N-(3-fluorophenyl)propanamide
PubChem CID51952632
Molecular FormulaC19H27FN2O3
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name3-[bis[[(2R)-oxolan-2-yl]methyl]amino]-N-(3-fluorophenyl)propanamide
SMILESO=C(CCN(C[C@H]1CCCO1)C[C@H]1CCCO1)Nc1cccc(F)c1
InChIInChI=1S/C19H27FN2O3/c20-15-4-1-5-16(12-15)21-19(23)8-9-22(13-17-6-2-10-24-17)14-18-7-3-11-25-18/h1,4-5,12,17-18H,2-3,6-11,13-14H2,(H,21,23)/t17-,18-/m1/s1
InChIKeyJGUPKDXCEBBLMT-QZTJIDSGSA-N
XLogP2.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide
CID 9223762
N-(3-chlorophenyl)-3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propanamide
CID 51861342
3-[bis(oxolan-2-ylmethyl)carbamoylamino]-N-(3-fluorophenyl)benzamide
CID 47051038
3-[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(methylcarbamoyl)propanamide
CID 94477534
2-[cyclopropylmethyl-[3-(3-fluoroanilino)-3-oxopropyl]amino]acetic acid
CID 43656451
3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide
CID 62022676
3-[cyclopropylmethyl(propyl)amino]-N-(3-fluorophenyl)propanamide;hydrochloride
CID 90483417
N-(3-amino-4-fluorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide
CID 61430870
3-[(3-fluorobenzoyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 95540081
N-[2-(3-fluoroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 49336024
3-[bis(2-methylpropyl)amino]-N-(3-fluorophenyl)propanamide
CID 60501159
N-(3-acetamidophenyl)-3-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]propanamide
CID 124749501

Frequently Asked Questions

What is the IUPAC name of 3-[bis[[(2R)-oxolan-2-yl]methyl]amino]-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-[bis[[(2R)-oxolan-2-yl]methyl]amino]-N-(3-fluorophenyl)propanamide (CID 51952632) is 3-[bis[[(2R)-oxolan-2-yl]methyl]amino]-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-[bis[[(2R)-oxolan-2-yl]methyl]amino]-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-[bis[[(2R)-oxolan-2-yl]methyl]amino]-N-(3-fluorophenyl)propanamide is O=C(CCN(C[C@H]1CCCO1)C[C@H]1CCCO1)Nc1cccc(F)c1.
What is the InChIKey of 3-[bis[[(2R)-oxolan-2-yl]methyl]amino]-N-(3-fluorophenyl)propanamide?
The InChIKey is JGUPKDXCEBBLMT-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H27FN2O3/c20-15-4-1-5-16(12-15)21-19(23)8-9-22(13-17-6-2-10-24-17)14-18-7-3-11-25-18/h1,4-5,12,17-18H,2-3,6-11,13-14H2,(H,21,23)/t17-,18-/m1/s1.
What are the key properties of 3-[bis[[(2R)-oxolan-2-yl]methyl]amino]-N-(3-fluorophenyl)propanamide?
3-[bis[[(2R)-oxolan-2-yl]methyl]amino]-N-(3-fluorophenyl)propanamide has a molecular weight of 350.43 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis[[(2R)-oxolan-2-yl]methyl]amino]-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 51952632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).