1-(4-methylphenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]cyclopropane-1-carboxamide

C23H27NO3 — CID 91764390

IUPAC1-(4-methylphenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]cyclopropane-1-carboxamide
SMILESCc1ccc(C2(C(=O)N[C@@H]3COCC[C@@H]3OCc3ccccc3)CC2)cc1
InChIInChI=1S/C23H27NO3/c1-17-7-9-19(10-8-17)23(12-13-23)22(25)24-20-16-26-14-11-21(20)27-15-18-5-3-2-4-6-18/h2-10,20-21H,11-16H2,1H3,(H,24,25)/t20-,21+/m1/s1
InChIKeyJCUOUMXFMAFOFX-RTWAWAEBSA-N
MW365.47 g/mol
LogP3.52
Rot. Bonds6

About 1-(4-methylphenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]cyclopropane-1-carboxamide

1-(4-methylphenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]cyclopropane-1-carboxamide (PubChem CID 91764390) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]cyclopropane-1-carboxamide
PubChem CID91764390
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name1-(4-methylphenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]cyclopropane-1-carboxamide
SMILESCc1ccc(C2(C(=O)N[C@@H]3COCC[C@@H]3OCc3ccccc3)CC2)cc1
InChIInChI=1S/C23H27NO3/c1-17-7-9-19(10-8-17)23(12-13-23)22(25)24-20-16-26-14-11-21(20)27-15-18-5-3-2-4-6-18/h2-10,20-21H,11-16H2,1H3,(H,24,25)/t20-,21+/m1/s1
InChIKeyJCUOUMXFMAFOFX-RTWAWAEBSA-N
XLogP3.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]cyclopropane-1-carboxamide (CID 91764390) is 1-(4-methylphenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]cyclopropane-1-carboxamide is Cc1ccc(C2(C(=O)N[C@@H]3COCC[C@@H]3OCc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]cyclopropane-1-carboxamide?
The InChIKey is JCUOUMXFMAFOFX-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H27NO3/c1-17-7-9-19(10-8-17)23(12-13-23)22(25)24-20-16-26-14-11-21(20)27-15-18-5-3-2-4-6-18/h2-10,20-21H,11-16H2,1H3,(H,24,25)/t20-,21+/m1/s1.
What are the key properties of 1-(4-methylphenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]cyclopropane-1-carboxamide?
1-(4-methylphenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]cyclopropane-1-carboxamide has a molecular weight of 365.47 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 91764390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).