(1R,2R,3S)-N-tert-butyl-2-methyl-2-phenyl-3-phenylmethoxycyclopropane-1-carboxamide

C22H27NO2 — CID 102497858

IUPAC(1R,2R,3S)-N-tert-butyl-2-methyl-2-phenyl-3-phenylmethoxycyclopropane-1-carboxamide
SMILESCC(C)(C)NC(=O)[C@H]1[C@H](OCc2ccccc2)[C@@]1(C)c1ccccc1
InChIInChI=1S/C22H27NO2/c1-21(2,3)23-20(24)18-19(25-15-16-11-7-5-8-12-16)22(18,4)17-13-9-6-10-14-17/h5-14,18-19H,15H2,1-4H3,(H,23,24)/t18-,19+,22+/m1/s1
InChIKeyQPEUIBRNDVKZKB-DXIQSLLYSA-N
MW337.46 g/mol
LogP4.07
Rot. Bonds5

About (1R,2R,3S)-N-tert-butyl-2-methyl-2-phenyl-3-phenylmethoxycyclopropane-1-carboxamide

(1R,2R,3S)-N-tert-butyl-2-methyl-2-phenyl-3-phenylmethoxycyclopropane-1-carboxamide (PubChem CID 102497858) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is (1R,2R,3S)-N-tert-butyl-2-methyl-2-phenyl-3-phenylmethoxycyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R,2R,3S)-N-tert-butyl-2-methyl-2-phenyl-3-phenylmethoxycyclopropane-1-carboxamide
PubChem CID102497858
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name(1R,2R,3S)-N-tert-butyl-2-methyl-2-phenyl-3-phenylmethoxycyclopropane-1-carboxamide
SMILESCC(C)(C)NC(=O)[C@H]1[C@H](OCc2ccccc2)[C@@]1(C)c1ccccc1
InChIInChI=1S/C22H27NO2/c1-21(2,3)23-20(24)18-19(25-15-16-11-7-5-8-12-16)22(18,4)17-13-9-6-10-14-17/h5-14,18-19H,15H2,1-4H3,(H,23,24)/t18-,19+,22+/m1/s1
InChIKeyQPEUIBRNDVKZKB-DXIQSLLYSA-N
XLogP4.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Benzyloxy)-N~1~,N~6~-di-tert-butylhexanediimidic acid
CID 59311
2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2,2-difluoro-N-(1-methylcyclopropyl)acetamide
CID 18955394
(2R)-2-phenyl-3-phenylmethoxypropanamide
CID 101216590
Pasha
CID 139041673
(1R,2R,3S)-N-tert-butyl-2-methyl-2-(4-methylphenyl)-3-phenylmethoxycyclopropane-1-carboxamide
CID 139041674
trans-benzyl (1S,2R)-1-acetamido-2-methyl-2-phenylcyclopropane-1-carboxylate
CID 146165863
1-(4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide
CID 46558430
N-[(2R,4S,6S)-2-(3-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide
CID 110155043
N-[(2R,6S)-2,6-bis(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide
CID 110155044
N-[(2R,4S,6S)-2-(2-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide
CID 110155045
N-[(2R,4S,6S)-2-(2,4-difluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide
CID 110155049
N-[(2R,4S,6S)-2-(2,5-difluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide
CID 110155050

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S)-N-tert-butyl-2-methyl-2-phenyl-3-phenylmethoxycyclopropane-1-carboxamide?
The IUPAC name of (1R,2R,3S)-N-tert-butyl-2-methyl-2-phenyl-3-phenylmethoxycyclopropane-1-carboxamide (CID 102497858) is (1R,2R,3S)-N-tert-butyl-2-methyl-2-phenyl-3-phenylmethoxycyclopropane-1-carboxamide.
What is the SMILES notation for (1R,2R,3S)-N-tert-butyl-2-methyl-2-phenyl-3-phenylmethoxycyclopropane-1-carboxamide?
The canonical SMILES for (1R,2R,3S)-N-tert-butyl-2-methyl-2-phenyl-3-phenylmethoxycyclopropane-1-carboxamide is CC(C)(C)NC(=O)[C@H]1[C@H](OCc2ccccc2)[C@@]1(C)c1ccccc1.
What is the InChIKey of (1R,2R,3S)-N-tert-butyl-2-methyl-2-phenyl-3-phenylmethoxycyclopropane-1-carboxamide?
The InChIKey is QPEUIBRNDVKZKB-DXIQSLLYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-21(2,3)23-20(24)18-19(25-15-16-11-7-5-8-12-16)22(18,4)17-13-9-6-10-14-17/h5-14,18-19H,15H2,1-4H3,(H,23,24)/t18-,19+,22+/m1/s1.
What are the key properties of (1R,2R,3S)-N-tert-butyl-2-methyl-2-phenyl-3-phenylmethoxycyclopropane-1-carboxamide?
(1R,2R,3S)-N-tert-butyl-2-methyl-2-phenyl-3-phenylmethoxycyclopropane-1-carboxamide has a molecular weight of 337.46 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S)-N-tert-butyl-2-methyl-2-phenyl-3-phenylmethoxycyclopropane-1-carboxamide is sourced from PubChem (CID 102497858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).