N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]cyclobutanecarboxamide

C15H21NO2 — CID 9262346

IUPACN-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]cyclobutanecarboxamide
SMILESCOc1ccc(C)cc1[C@H](C)NC(=O)C1CCC1
InChIInChI=1S/C15H21NO2/c1-10-7-8-14(18-3)13(9-10)11(2)16-15(17)12-5-4-6-12/h7-9,11-12H,4-6H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyDXTVUMHEYSXUAH-NSHDSACASA-N
MW247.34 g/mol
LogP2.98
Rot. Bonds4

About N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]cyclobutanecarboxamide

N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]cyclobutanecarboxamide (PubChem CID 9262346) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]cyclobutanecarboxamide
PubChem CID9262346
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]cyclobutanecarboxamide
SMILESCOc1ccc(C)cc1[C@H](C)NC(=O)C1CCC1
InChIInChI=1S/C15H21NO2/c1-10-7-8-14(18-3)13(9-10)11(2)16-15(17)12-5-4-6-12/h7-9,11-12H,4-6H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyDXTVUMHEYSXUAH-NSHDSACASA-N
XLogP2.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-4-carboxamide
CID 43703441
3-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 63043593
(2S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119273007
(2S)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide
CID 35412352
(2R)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide
CID 35412359
(2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 94875015
N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706375
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 9263355
1-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119273001
4-hydroxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 43703463
4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122017282
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 134022970

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]cyclobutanecarboxamide (CID 9262346) is N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]cyclobutanecarboxamide is COc1ccc(C)cc1[C@H](C)NC(=O)C1CCC1.
What is the InChIKey of N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]cyclobutanecarboxamide?
The InChIKey is DXTVUMHEYSXUAH-NSHDSACASA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-7-8-14(18-3)13(9-10)11(2)16-15(17)12-5-4-6-12/h7-9,11-12H,4-6H2,1-3H3,(H,16,17)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]cyclobutanecarboxamide?
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]cyclobutanecarboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 9262346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).