1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-propan-2-ylurea

C16H25N3O2 — CID 49283001

IUPAC1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C16H25N3O2/c1-11(2)17-16(20)18-14-5-7-15(8-6-14)19-9-12(3)21-13(4)10-19/h5-8,11-13H,9-10H2,1-4H3,(H2,17,18,20)
InChIKeyINLOJDOMNKPDJM-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.83
Rot. Bonds3

About 1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-propan-2-ylurea

1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-propan-2-ylurea (PubChem CID 49283001) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-propan-2-ylurea
PubChem CID49283001
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C16H25N3O2/c1-11(2)17-16(20)18-14-5-7-15(8-6-14)19-9-12(3)21-13(4)10-19/h5-8,11-13H,9-10H2,1-4H3,(H2,17,18,20)
InChIKeyINLOJDOMNKPDJM-UHFFFAOYSA-N
XLogP2.83
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S)-2-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]carbamoylamino]-3-methylbutanoate
CID 97225791
1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea
CID 47173524
1-(cyclopropylmethyl)-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea
CID 94336075
1-propan-2-yl-3-[4-(4-pyrrolidin-1-ylanilino)phenyl]urea
CID 112988776
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]thiomorpholine-4-carboxamide
CID 95302613
1-[4-[[(2,6-dimethylmorpholin-4-yl)sulfonylamino]methyl]phenyl]-3-propan-2-ylurea
CID 46452711
1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(3-methoxypropyl)urea
CID 94336259
1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(2-ethoxyethyl)urea
CID 94336084
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide
CID 20630106
O-methyl N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]carbamothioate
CID 6934493
4-amino-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide
CID 70892650
4-bromo-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564930

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-propan-2-ylurea (CID 49283001) is 1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(N2CC(C)OC(C)C2)cc1.
What is the InChIKey of 1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-propan-2-ylurea?
The InChIKey is INLOJDOMNKPDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)17-16(20)18-14-5-7-15(8-6-14)19-9-12(3)21-13(4)10-19/h5-8,11-13H,9-10H2,1-4H3,(H2,17,18,20).
What are the key properties of 1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-propan-2-ylurea?
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-propan-2-ylurea has a molecular weight of 291.40 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 49283001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).