N-[1-(4-methylphenyl)cyclopropyl]-2-[(3S)-oxolan-3-yl]acetamide

C16H21NO2 — CID 125442413

IUPACN-[1-(4-methylphenyl)cyclopropyl]-2-[(3S)-oxolan-3-yl]acetamide
SMILESCc1ccc(C2(NC(=O)C[C@@H]3CCOC3)CC2)cc1
InChIInChI=1S/C16H21NO2/c1-12-2-4-14(5-3-12)16(7-8-16)17-15(18)10-13-6-9-19-11-13/h2-5,13H,6-11H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyFDUFMCNJEPNXTK-ZDUSSCGKSA-N
MW259.35 g/mol
LogP2.53
Rot. Bonds4

About N-[1-(4-methylphenyl)cyclopropyl]-2-[(3S)-oxolan-3-yl]acetamide

N-[1-(4-methylphenyl)cyclopropyl]-2-[(3S)-oxolan-3-yl]acetamide (PubChem CID 125442413) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)cyclopropyl]-2-[(3S)-oxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)cyclopropyl]-2-[(3S)-oxolan-3-yl]acetamide
PubChem CID125442413
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[1-(4-methylphenyl)cyclopropyl]-2-[(3S)-oxolan-3-yl]acetamide
SMILESCc1ccc(C2(NC(=O)C[C@@H]3CCOC3)CC2)cc1
InChIInChI=1S/C16H21NO2/c1-12-2-4-14(5-3-12)16(7-8-16)17-15(18)10-13-6-9-19-11-13/h2-5,13H,6-11H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyFDUFMCNJEPNXTK-ZDUSSCGKSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3S)-oxolan-3-yl]-N-(4-phenyloxan-4-yl)acetamide
CID 125440939
N-[1-(2-chlorophenyl)cyclopropyl]-2-(oxolan-3-yl)acetamide
CID 122561612
N-(1-methylcyclopropyl)-2-[(3R)-oxolan-3-yl]acetamide
CID 130676396
N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3R)-oxolan-3-yl]acetamide
CID 125444862
N-(1-cyclopentylcyclopropyl)-2-[(3R)-oxolan-3-yl]acetamide
CID 125446759
N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 43196113
1-[1-(4-fluorophenyl)cyclopentyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 95279939
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-[(3R)-oxan-3-yl]acetamide
CID 124626187
N,N-dimethyl-4-[[[2-(oxolan-3-yl)acetyl]amino]methyl]benzamide
CID 122566630
N-(4-fluorophenyl)-2-[(3R)-oxolan-3-yl]acetamide
CID 126789596
1-(2-chloro-4-methylphenyl)-3-(oxolan-3-yl)propan-2-one
CID 106867100
1-(4-methylphenyl)-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 114172171

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)cyclopropyl]-2-[(3S)-oxolan-3-yl]acetamide?
The IUPAC name of N-[1-(4-methylphenyl)cyclopropyl]-2-[(3S)-oxolan-3-yl]acetamide (CID 125442413) is N-[1-(4-methylphenyl)cyclopropyl]-2-[(3S)-oxolan-3-yl]acetamide.
What is the SMILES notation for N-[1-(4-methylphenyl)cyclopropyl]-2-[(3S)-oxolan-3-yl]acetamide?
The canonical SMILES for N-[1-(4-methylphenyl)cyclopropyl]-2-[(3S)-oxolan-3-yl]acetamide is Cc1ccc(C2(NC(=O)C[C@@H]3CCOC3)CC2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)cyclopropyl]-2-[(3S)-oxolan-3-yl]acetamide?
The InChIKey is FDUFMCNJEPNXTK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12-2-4-14(5-3-12)16(7-8-16)17-15(18)10-13-6-9-19-11-13/h2-5,13H,6-11H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of N-[1-(4-methylphenyl)cyclopropyl]-2-[(3S)-oxolan-3-yl]acetamide?
N-[1-(4-methylphenyl)cyclopropyl]-2-[(3S)-oxolan-3-yl]acetamide has a molecular weight of 259.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)cyclopropyl]-2-[(3S)-oxolan-3-yl]acetamide is sourced from PubChem (CID 125442413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).