N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide

C19H27NO3 — CID 111661772

IUPACN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
SMILESCc1cc(OC(C)C(=O)N[C@@H]2C=C[C@H](CO)C2)ccc1C(C)C
InChIInChI=1S/C19H27NO3/c1-12(2)18-8-7-17(9-13(18)3)23-14(4)19(22)20-16-6-5-15(10-16)11-21/h5-9,12,14-16,21H,10-11H2,1-4H3,(H,20,22)/t14?,15-,16+/m0/s1
InChIKeyYDMFPCQQZCHYCC-MERJSTESSA-N
MW317.43 g/mol
LogP2.94
Rot. Bonds6

About N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide (PubChem CID 111661772) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
PubChem CID111661772
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
SMILESCc1cc(OC(C)C(=O)N[C@@H]2C=C[C@H](CO)C2)ccc1C(C)C
InChIInChI=1S/C19H27NO3/c1-12(2)18-8-7-17(9-13(18)3)23-14(4)19(22)20-16-6-5-15(10-16)11-21/h5-9,12,14-16,21H,10-11H2,1-4H3,(H,20,22)/t14?,15-,16+/m0/s1
InChIKeyYDMFPCQQZCHYCC-MERJSTESSA-N
XLogP2.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide
CID 111661613
2-(2,4-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide
CID 111661668
2-(3-methyl-4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119454077
N-(2-methylpiperidin-4-yl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 120599814
N-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119504142
N-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 119385381
N-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclohexanecarboxamide
CID 55805598
N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
CID 10130076
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(2-methylphenyl)ethyl]urea
CID 111630257
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 111661167
(2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethylphenoxy)propanamide
CID 124834114
2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 47095242

Frequently Asked Questions

What is the IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide (CID 111661772) is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide is Cc1cc(OC(C)C(=O)N[C@@H]2C=C[C@H](CO)C2)ccc1C(C)C.
What is the InChIKey of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
The InChIKey is YDMFPCQQZCHYCC-MERJSTESSA-N. The full InChI is InChI=1S/C19H27NO3/c1-12(2)18-8-7-17(9-13(18)3)23-14(4)19(22)20-16-6-5-15(10-16)11-21/h5-9,12,14-16,21H,10-11H2,1-4H3,(H,20,22)/t14?,15-,16+/m0/s1.
What are the key properties of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide has a molecular weight of 317.43 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 111661772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).