N-[2-methyl-3-[2-(4-methylphenoxy)butanoylamino]phenyl]cyclopropanecarboxamide

C22H26N2O3 — CID 46761280

IUPACN-[2-methyl-3-[2-(4-methylphenoxy)butanoylamino]phenyl]cyclopropanecarboxamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)Nc1cccc(NC(=O)C2CC2)c1C
InChIInChI=1S/C22H26N2O3/c1-4-20(27-17-12-8-14(2)9-13-17)22(26)24-19-7-5-6-18(15(19)3)23-21(25)16-10-11-16/h5-9,12-13,16,20H,4,10-11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyQTXCDFBYYXOZMQ-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.45
Rot. Bonds7

About N-[2-methyl-3-[2-(4-methylphenoxy)butanoylamino]phenyl]cyclopropanecarboxamide

N-[2-methyl-3-[2-(4-methylphenoxy)butanoylamino]phenyl]cyclopropanecarboxamide (PubChem CID 46761280) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[2-methyl-3-[2-(4-methylphenoxy)butanoylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-[2-(4-methylphenoxy)butanoylamino]phenyl]cyclopropanecarboxamide
PubChem CID46761280
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[2-methyl-3-[2-(4-methylphenoxy)butanoylamino]phenyl]cyclopropanecarboxamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)Nc1cccc(NC(=O)C2CC2)c1C
InChIInChI=1S/C22H26N2O3/c1-4-20(27-17-12-8-14(2)9-13-17)22(26)24-19-7-5-6-18(15(19)3)23-21(25)16-10-11-16/h5-9,12-13,16,20H,4,10-11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyQTXCDFBYYXOZMQ-UHFFFAOYSA-N
XLogP4.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]phenyl]cyclopropanecarboxamide
CID 46761316
N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide
CID 17034276
(2R)-N-(2,3-dimethylphenyl)-2-phenoxybutanamide
CID 871108
2-(3,4-dimethylphenoxy)-N-(2,3-dimethylphenyl)butanamide
CID 43916757
2-(4-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
CID 46760564
4-butan-2-yloxy-N-[[3-(cyclopropanecarbonylamino)-2-methylphenyl]carbamothioyl]benzamide
CID 46761650
(2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92676372
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
N-(3-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
CID 43916773
(2S)-N-(2,3-dimethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 93486668
(2R)-N-methyl-2-(4-methylphenoxy)butanamide
CID 40742854
(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
CID 40796762

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[2-(4-methylphenoxy)butanoylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-methyl-3-[2-(4-methylphenoxy)butanoylamino]phenyl]cyclopropanecarboxamide (CID 46761280) is N-[2-methyl-3-[2-(4-methylphenoxy)butanoylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-methyl-3-[2-(4-methylphenoxy)butanoylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-methyl-3-[2-(4-methylphenoxy)butanoylamino]phenyl]cyclopropanecarboxamide is CCC(Oc1ccc(C)cc1)C(=O)Nc1cccc(NC(=O)C2CC2)c1C.
What is the InChIKey of N-[2-methyl-3-[2-(4-methylphenoxy)butanoylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is QTXCDFBYYXOZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-4-20(27-17-12-8-14(2)9-13-17)22(26)24-19-7-5-6-18(15(19)3)23-21(25)16-10-11-16/h5-9,12-13,16,20H,4,10-11H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-methyl-3-[2-(4-methylphenoxy)butanoylamino]phenyl]cyclopropanecarboxamide?
N-[2-methyl-3-[2-(4-methylphenoxy)butanoylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 366.46 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[2-(4-methylphenoxy)butanoylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 46761280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).