3-(4-methylphenyl)-2-[2-[1-(4-methylphenyl)ethylamino]anilino]-1-morpholin-2-ylpropan-1-one

C29H35N3O2 — CID 175079955

IUPAC3-(4-methylphenyl)-2-[2-[1-(4-methylphenyl)ethylamino]anilino]-1-morpholin-2-ylpropan-1-one
SMILESCc1ccc(CC(Nc2ccccc2NC(C)c2ccc(C)cc2)C(=O)C2CNCCO2)cc1
InChIInChI=1S/C29H35N3O2/c1-20-8-12-23(13-9-20)18-27(29(33)28-19-30-16-17-34-28)32-26-7-5-4-6-25(26)31-22(3)24-14-10-21(2)11-15-24/h4-15,22,27-28,30-32H,16-19H2,1-3H3
InChIKeyZJGMKEIDVQXLCB-UHFFFAOYSA-N
MW457.62 g/mol
LogP5.06
Rot. Bonds9

About 3-(4-methylphenyl)-2-[2-[1-(4-methylphenyl)ethylamino]anilino]-1-morpholin-2-ylpropan-1-one

3-(4-methylphenyl)-2-[2-[1-(4-methylphenyl)ethylamino]anilino]-1-morpholin-2-ylpropan-1-one (PubChem CID 175079955) has the molecular formula C29H35N3O2 and a molecular weight of 457.62 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-[2-[1-(4-methylphenyl)ethylamino]anilino]-1-morpholin-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-[2-[1-(4-methylphenyl)ethylamino]anilino]-1-morpholin-2-ylpropan-1-one
PubChem CID175079955
Molecular FormulaC29H35N3O2
Molecular Weight457.62 g/mol
Exact Mass457.27
IUPAC Name3-(4-methylphenyl)-2-[2-[1-(4-methylphenyl)ethylamino]anilino]-1-morpholin-2-ylpropan-1-one
SMILESCc1ccc(CC(Nc2ccccc2NC(C)c2ccc(C)cc2)C(=O)C2CNCCO2)cc1
InChIInChI=1S/C29H35N3O2/c1-20-8-12-23(13-9-20)18-27(29(33)28-19-30-16-17-34-28)32-26-7-5-4-6-25(26)31-22(3)24-14-10-21(2)11-15-24/h4-15,22,27-28,30-32H,16-19H2,1-3H3
InChIKeyZJGMKEIDVQXLCB-UHFFFAOYSA-N
XLogP5.06
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.62
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119683082
tert-butyl N-[(2S)-1-morpholin-2-yl-1-oxo-3-phenylpropan-2-yl]carbamate
CID 70064876
2-benzyl-3-morpholin-2-yl-3-oxopropanoic acid
CID 19790783
N-[2-(4-methylphenyl)-1-pyridin-3-ylethyl]morpholine-2-carboxamide;dihydrochloride
CID 91645725
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119722017
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 119754107
N-[1-(2-methylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119686063
N-(2,3-diphenylpropyl)morpholine-2-carboxamide;hydrochloride
CID 119803971
N-[[1-(1-phenylethylamino)cyclopentyl]methyl]morpholine-2-carboxamide
CID 119884564
N-(2-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119674752
N-(2-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119679075

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-[2-[1-(4-methylphenyl)ethylamino]anilino]-1-morpholin-2-ylpropan-1-one?
The IUPAC name of 3-(4-methylphenyl)-2-[2-[1-(4-methylphenyl)ethylamino]anilino]-1-morpholin-2-ylpropan-1-one (CID 175079955) is 3-(4-methylphenyl)-2-[2-[1-(4-methylphenyl)ethylamino]anilino]-1-morpholin-2-ylpropan-1-one.
What is the SMILES notation for 3-(4-methylphenyl)-2-[2-[1-(4-methylphenyl)ethylamino]anilino]-1-morpholin-2-ylpropan-1-one?
The canonical SMILES for 3-(4-methylphenyl)-2-[2-[1-(4-methylphenyl)ethylamino]anilino]-1-morpholin-2-ylpropan-1-one is Cc1ccc(CC(Nc2ccccc2NC(C)c2ccc(C)cc2)C(=O)C2CNCCO2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2-[2-[1-(4-methylphenyl)ethylamino]anilino]-1-morpholin-2-ylpropan-1-one?
The InChIKey is ZJGMKEIDVQXLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O2/c1-20-8-12-23(13-9-20)18-27(29(33)28-19-30-16-17-34-28)32-26-7-5-4-6-25(26)31-22(3)24-14-10-21(2)11-15-24/h4-15,22,27-28,30-32H,16-19H2,1-3H3.
What are the key properties of 3-(4-methylphenyl)-2-[2-[1-(4-methylphenyl)ethylamino]anilino]-1-morpholin-2-ylpropan-1-one?
3-(4-methylphenyl)-2-[2-[1-(4-methylphenyl)ethylamino]anilino]-1-morpholin-2-ylpropan-1-one has a molecular weight of 457.62 g/mol, XLogP of 5.06, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2-[2-[1-(4-methylphenyl)ethylamino]anilino]-1-morpholin-2-ylpropan-1-one is sourced from PubChem (CID 175079955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).