methyl 2-[3-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetate

C21H23NO4 — CID 55873499

IUPACmethyl 2-[3-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(C(=O)N(Cc2ccc(C)cc2)C2CC2)c1
InChIInChI=1S/C21H23NO4/c1-15-6-8-16(9-7-15)13-22(18-10-11-18)21(24)17-4-3-5-19(12-17)26-14-20(23)25-2/h3-9,12,18H,10-11,13-14H2,1-2H3
InChIKeyDMBBIUOFODNOCA-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.35
Rot. Bonds7

About methyl 2-[3-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetate

methyl 2-[3-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetate (PubChem CID 55873499) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is methyl 2-[3-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetate
PubChem CID55873499
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Namemethyl 2-[3-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(C(=O)N(Cc2ccc(C)cc2)C2CC2)c1
InChIInChI=1S/C21H23NO4/c1-15-6-8-16(9-7-15)13-22(18-10-11-18)21(24)17-4-3-5-19(12-17)26-14-20(23)25-2/h3-9,12,18H,10-11,13-14H2,1-2H3
InChIKeyDMBBIUOFODNOCA-UHFFFAOYSA-N
XLogP3.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetylphenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 18198380
N-benzyl-N-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 46540368
3-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzamide
CID 55733850
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-3-methoxybenzamide
CID 42723772
N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-3-[(2-methoxyacetyl)amino]benzamide
CID 50975306
N-cyclopropyl-4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 32589817
methyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate
CID 80717814
N-cyclopropyl-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011279
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
N-cyclopropyl-4-methyl-N-[[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]methyl]benzamide
CID 45201934
N-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-3-pyrazin-2-ylbenzamide
CID 118763811
N-cyclopropyl-4-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]benzamide
CID 26320335

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetate (CID 55873499) is methyl 2-[3-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetate is COC(=O)COc1cccc(C(=O)N(Cc2ccc(C)cc2)C2CC2)c1.
What is the InChIKey of methyl 2-[3-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetate?
The InChIKey is DMBBIUOFODNOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-15-6-8-16(9-7-15)13-22(18-10-11-18)21(24)17-4-3-5-19(12-17)26-14-20(23)25-2/h3-9,12,18H,10-11,13-14H2,1-2H3.
What are the key properties of methyl 2-[3-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetate?
methyl 2-[3-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetate has a molecular weight of 353.42 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetate is sourced from PubChem (CID 55873499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).