N-[(2S,4R,6R)-2-benzhydryl-6-propan-2-yloxan-4-yl]acetamide

C23H29NO2 — CID 50949878

IUPACN-[(2S,4R,6R)-2-benzhydryl-6-propan-2-yloxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](C(c2ccccc2)c2ccccc2)O[C@@H](C(C)C)C1
InChIInChI=1S/C23H29NO2/c1-16(2)21-14-20(24-17(3)25)15-22(26-21)23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16,20-23H,14-15H2,1-3H3,(H,24,25)/t20-,21-,22+/m1/s1
InChIKeyBQQAKSJUZAPKPV-VSKRKVRLSA-N
MW351.49 g/mol
LogP4.53
Rot. Bonds5

About N-[(2S,4R,6R)-2-benzhydryl-6-propan-2-yloxan-4-yl]acetamide

N-[(2S,4R,6R)-2-benzhydryl-6-propan-2-yloxan-4-yl]acetamide (PubChem CID 50949878) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[(2S,4R,6R)-2-benzhydryl-6-propan-2-yloxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,4R,6R)-2-benzhydryl-6-propan-2-yloxan-4-yl]acetamide
PubChem CID50949878
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC NameN-[(2S,4R,6R)-2-benzhydryl-6-propan-2-yloxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](C(c2ccccc2)c2ccccc2)O[C@@H](C(C)C)C1
InChIInChI=1S/C23H29NO2/c1-16(2)21-14-20(24-17(3)25)15-22(26-21)23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16,20-23H,14-15H2,1-3H3,(H,24,25)/t20-,21-,22+/m1/s1
InChIKeyBQQAKSJUZAPKPV-VSKRKVRLSA-N
XLogP4.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R,4S,6S)-2-(3-acetylphenyl)-6-propan-2-yloxan-4-yl]acetamide
CID 133117595
N-[(2R,4S,6S)-2-(3-methyl-1-benzothiophen-2-yl)-6-propan-2-yloxan-4-yl]acetamide
CID 133131997
N-(3-propan-2-ylcyclobutyl)acetamide
CID 59410589
N-[(2S,6R)-2,6-dibenzyloxan-4-yl]acetamide
CID 50960068
N-[(6S)-6-benzhydryloxan-3-yl]-2-(4-fluorophenyl)acetamide
CID 69177779
N-[(2R,4S,6S)-2-[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]-6-propan-2-yloxan-4-yl]acetamide
CID 133127963
N-[(1R,3R)-3-phenylcyclohexyl]acetamide
CID 102139469
2-(2-bromophenyl)-N-(2-propan-2-yloxan-4-yl)acetamide
CID 122159167
2-methyl-N-(3-phenylcyclobutyl)propanamide
CID 166834731
N-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 110129982
3-amino-2-methyl-N-(3-methylcyclobutyl)-3-phenylpropanamide;hydrochloride
CID 119790806
(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide
CID 9165607

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R,6R)-2-benzhydryl-6-propan-2-yloxan-4-yl]acetamide?
The IUPAC name of N-[(2S,4R,6R)-2-benzhydryl-6-propan-2-yloxan-4-yl]acetamide (CID 50949878) is N-[(2S,4R,6R)-2-benzhydryl-6-propan-2-yloxan-4-yl]acetamide.
What is the SMILES notation for N-[(2S,4R,6R)-2-benzhydryl-6-propan-2-yloxan-4-yl]acetamide?
The canonical SMILES for N-[(2S,4R,6R)-2-benzhydryl-6-propan-2-yloxan-4-yl]acetamide is CC(=O)N[C@H]1C[C@@H](C(c2ccccc2)c2ccccc2)O[C@@H](C(C)C)C1.
What is the InChIKey of N-[(2S,4R,6R)-2-benzhydryl-6-propan-2-yloxan-4-yl]acetamide?
The InChIKey is BQQAKSJUZAPKPV-VSKRKVRLSA-N. The full InChI is InChI=1S/C23H29NO2/c1-16(2)21-14-20(24-17(3)25)15-22(26-21)23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16,20-23H,14-15H2,1-3H3,(H,24,25)/t20-,21-,22+/m1/s1.
What are the key properties of N-[(2S,4R,6R)-2-benzhydryl-6-propan-2-yloxan-4-yl]acetamide?
N-[(2S,4R,6R)-2-benzhydryl-6-propan-2-yloxan-4-yl]acetamide has a molecular weight of 351.49 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R,6R)-2-benzhydryl-6-propan-2-yloxan-4-yl]acetamide is sourced from PubChem (CID 50949878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).