[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(cyclopropylmethoxy)propanoate

C22H25NO4 — CID 86847032

IUPAC[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(cyclopropylmethoxy)propanoate
SMILESCc1ccc(C(=O)N(C)c2ccc(OC(=O)C(C)OCC3CC3)cc2)cc1
InChIInChI=1S/C22H25NO4/c1-15-4-8-18(9-5-15)21(24)23(3)19-10-12-20(13-11-19)27-22(25)16(2)26-14-17-6-7-17/h4-5,8-13,16-17H,6-7,14H2,1-3H3
InChIKeyTYQBFRLIAKNVAJ-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.99
Rot. Bonds7

About [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(cyclopropylmethoxy)propanoate

[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(cyclopropylmethoxy)propanoate (PubChem CID 86847032) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(cyclopropylmethoxy)propanoate.

Molecular Properties

Compound Name[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(cyclopropylmethoxy)propanoate
PubChem CID86847032
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(cyclopropylmethoxy)propanoate
SMILESCc1ccc(C(=O)N(C)c2ccc(OC(=O)C(C)OCC3CC3)cc2)cc1
InChIInChI=1S/C22H25NO4/c1-15-4-8-18(9-5-15)21(24)23(3)19-10-12-20(13-11-19)27-22(25)16(2)26-14-17-6-7-17/h4-5,8-13,16-17H,6-7,14H2,1-3H3
InChIKeyTYQBFRLIAKNVAJ-UHFFFAOYSA-N
XLogP3.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methylphenoxy)propanoate
CID 55383634
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methoxyphenoxy)propanoate
CID 55505722
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-cyclopentylpropanoate
CID 60594598
[4-[methyl-(4-methylbenzoyl)amino]phenyl] cyclopentanecarboxylate
CID 33186300
[4-[methyl-(4-methylbenzoyl)amino]phenyl] cyclohex-3-ene-1-carboxylate
CID 60594523
(3-carbamoylphenyl) (2R)-2-(cyclopropylmethoxy)propanoate
CID 94201532
[4-[methyl-(4-methylbenzoyl)amino]phenyl] pyridine-4-carboxylate
CID 60594547
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-chlorophenyl)acetate
CID 33186337
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 3,4-difluorobenzoate
CID 33186533
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 55383795
[4-[(4-butoxycarbonyloxybenzoyl)-methylamino]phenyl] pentyl carbonate
CID 91711195
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 4-nitrobenzoate
CID 33186021

Frequently Asked Questions

What is the IUPAC name of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(cyclopropylmethoxy)propanoate?
The IUPAC name of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(cyclopropylmethoxy)propanoate (CID 86847032) is [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(cyclopropylmethoxy)propanoate.
What is the SMILES notation for [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(cyclopropylmethoxy)propanoate?
The canonical SMILES for [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(cyclopropylmethoxy)propanoate is Cc1ccc(C(=O)N(C)c2ccc(OC(=O)C(C)OCC3CC3)cc2)cc1.
What is the InChIKey of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(cyclopropylmethoxy)propanoate?
The InChIKey is TYQBFRLIAKNVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-15-4-8-18(9-5-15)21(24)23(3)19-10-12-20(13-11-19)27-22(25)16(2)26-14-17-6-7-17/h4-5,8-13,16-17H,6-7,14H2,1-3H3.
What are the key properties of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(cyclopropylmethoxy)propanoate?
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(cyclopropylmethoxy)propanoate has a molecular weight of 367.45 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(cyclopropylmethoxy)propanoate is sourced from PubChem (CID 86847032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).