1-[4-(dimethylamino)-2-methylphenyl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea

C23H30N4O3 — CID 86886318

IUPAC1-[4-(dimethylamino)-2-methylphenyl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
SMILESCc1cc(N(C)C)ccc1NC(=O)NCC(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C23H30N4O3/c1-17-15-19(26(2)3)9-10-21(17)25-23(29)24-16-20(18-7-5-4-6-8-18)22(28)27-11-13-30-14-12-27/h4-10,15,20H,11-14,16H2,1-3H3,(H2,24,25,29)
InChIKeyCBJLYLAHTZOROB-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.83
Rot. Bonds6

About 1-[4-(dimethylamino)-2-methylphenyl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea

1-[4-(dimethylamino)-2-methylphenyl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea (PubChem CID 86886318) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-methylphenyl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2-methylphenyl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
PubChem CID86886318
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name1-[4-(dimethylamino)-2-methylphenyl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
SMILESCc1cc(N(C)C)ccc1NC(=O)NCC(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C23H30N4O3/c1-17-15-19(26(2)3)9-10-21(17)25-23(29)24-16-20(18-7-5-4-6-8-18)22(28)27-11-13-30-14-12-27/h4-10,15,20H,11-14,16H2,1-3H3,(H2,24,25,29)
InChIKeyCBJLYLAHTZOROB-UHFFFAOYSA-N
XLogP2.83
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-1,2-dimethyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 110951665
1-(3-methyl-3-phenylbutan-2-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
CID 86886974
1-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(naphthalen-1-ylmethyl)urea
CID 86886404
1-(1-benzylpyrazol-4-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
CID 86886425
1-methyl-N-[(2R)-3-morpholin-4-yl-3-oxo-2-phenylpropyl]cyclopentane-1-carboxamide
CID 95183567
1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(1-phenylcyclobutyl)urea
CID 86888650
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
1-[3-(4-benzylpiperazin-1-yl)propyl]-3-[4-(dimethylamino)-2-methylphenyl]urea
CID 55704765
1-[1-(2-methylpropyl)piperidin-4-yl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
CID 86886149
3-[(2-methyloxolan-3-yl)amino]-1-morpholin-4-yl-2-phenylpropan-1-one
CID 75441504
1-[(3-fluorophenyl)methyl]-1,2-dimethyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 111286462
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
CID 86896109

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2-methylphenyl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea?
The IUPAC name of 1-[4-(dimethylamino)-2-methylphenyl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea (CID 86886318) is 1-[4-(dimethylamino)-2-methylphenyl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea.
What is the SMILES notation for 1-[4-(dimethylamino)-2-methylphenyl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea?
The canonical SMILES for 1-[4-(dimethylamino)-2-methylphenyl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea is Cc1cc(N(C)C)ccc1NC(=O)NCC(C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of 1-[4-(dimethylamino)-2-methylphenyl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea?
The InChIKey is CBJLYLAHTZOROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-17-15-19(26(2)3)9-10-21(17)25-23(29)24-16-20(18-7-5-4-6-8-18)22(28)27-11-13-30-14-12-27/h4-10,15,20H,11-14,16H2,1-3H3,(H2,24,25,29).
What are the key properties of 1-[4-(dimethylamino)-2-methylphenyl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea?
1-[4-(dimethylamino)-2-methylphenyl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea has a molecular weight of 410.52 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-2-methylphenyl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea is sourced from PubChem (CID 86886318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).