(1S)-N-[[(2R)-oxolan-2-yl]methyl]-2,2-diphenylcyclopropane-1-carboxamide

C21H23NO2 — CID 950605

IUPAC(1S)-N-[[(2R)-oxolan-2-yl]methyl]-2,2-diphenylcyclopropane-1-carboxamide
SMILESO=C(NC[C@H]1CCCO1)[C@H]1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO2/c23-20(22-15-18-12-7-13-24-18)19-14-21(19,16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,22,23)/t18-,19-/m1/s1
InChIKeyQOZSPGKNMOQHOC-RTBURBONSA-N
MW321.42 g/mol
LogP3.29
Rot. Bonds5

About (1S)-N-[[(2R)-oxolan-2-yl]methyl]-2,2-diphenylcyclopropane-1-carboxamide

(1S)-N-[[(2R)-oxolan-2-yl]methyl]-2,2-diphenylcyclopropane-1-carboxamide (PubChem CID 950605) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is (1S)-N-[[(2R)-oxolan-2-yl]methyl]-2,2-diphenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[[(2R)-oxolan-2-yl]methyl]-2,2-diphenylcyclopropane-1-carboxamide
PubChem CID950605
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name(1S)-N-[[(2R)-oxolan-2-yl]methyl]-2,2-diphenylcyclopropane-1-carboxamide
SMILESO=C(NC[C@H]1CCCO1)[C@H]1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO2/c23-20(22-15-18-12-7-13-24-18)19-14-21(19,16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,22,23)/t18-,19-/m1/s1
InChIKeyQOZSPGKNMOQHOC-RTBURBONSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxolan-2-ylmethyl)-3-(1-phenylcyclopentyl)urea
CID 110676481
cis-(1R,2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 41098263
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
2-amino-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 114995836
N-[[(2S)-oxolan-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 752957
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122236
(3S)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122235
1-benzhydryl-N-[[(2S)-oxolan-2-yl]methyl]azetidine-3-carboxamide
CID 29135523
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
(3R)-N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 92662175
4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide
CID 689145

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[(2R)-oxolan-2-yl]methyl]-2,2-diphenylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-[[(2R)-oxolan-2-yl]methyl]-2,2-diphenylcyclopropane-1-carboxamide (CID 950605) is (1S)-N-[[(2R)-oxolan-2-yl]methyl]-2,2-diphenylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-[[(2R)-oxolan-2-yl]methyl]-2,2-diphenylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-[[(2R)-oxolan-2-yl]methyl]-2,2-diphenylcyclopropane-1-carboxamide is O=C(NC[C@H]1CCCO1)[C@H]1CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-N-[[(2R)-oxolan-2-yl]methyl]-2,2-diphenylcyclopropane-1-carboxamide?
The InChIKey is QOZSPGKNMOQHOC-RTBURBONSA-N. The full InChI is InChI=1S/C21H23NO2/c23-20(22-15-18-12-7-13-24-18)19-14-21(19,16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,22,23)/t18-,19-/m1/s1.
What are the key properties of (1S)-N-[[(2R)-oxolan-2-yl]methyl]-2,2-diphenylcyclopropane-1-carboxamide?
(1S)-N-[[(2R)-oxolan-2-yl]methyl]-2,2-diphenylcyclopropane-1-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[(2R)-oxolan-2-yl]methyl]-2,2-diphenylcyclopropane-1-carboxamide is sourced from PubChem (CID 950605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).