1-(cyclopropylmethyl)-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea

C17H25N3O2 — CID 94336075

IUPAC1-(cyclopropylmethyl)-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea
SMILESC[C@@H]1CN(c2ccc(NC(=O)NCC3CC3)cc2)C[C@@H](C)O1
InChIInChI=1S/C17H25N3O2/c1-12-10-20(11-13(2)22-12)16-7-5-15(6-8-16)19-17(21)18-9-14-3-4-14/h5-8,12-14H,3-4,9-11H2,1-2H3,(H2,18,19,21)/t12-,13-/m1/s1
InChIKeyZENVEDCQTPJQEB-CHWSQXEVSA-N
MW303.41 g/mol
LogP2.83
Rot. Bonds4

About 1-(cyclopropylmethyl)-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea

1-(cyclopropylmethyl)-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea (PubChem CID 94336075) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea
PubChem CID94336075
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-(cyclopropylmethyl)-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea
SMILESC[C@@H]1CN(c2ccc(NC(=O)NCC3CC3)cc2)C[C@@H](C)O1
InChIInChI=1S/C17H25N3O2/c1-12-10-20(11-13(2)22-12)16-7-5-15(6-8-16)19-17(21)18-9-14-3-4-14/h5-8,12-14H,3-4,9-11H2,1-2H3,(H2,18,19,21)/t12-,13-/m1/s1
InChIKeyZENVEDCQTPJQEB-CHWSQXEVSA-N
XLogP2.83
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
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

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
1-(cyclopropylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)phenyl]urea
CID 51085659
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-propan-2-ylurea
CID 49283001
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea
CID 60605719
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 49282481
1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108902937
N-[(4-aminocyclohexyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)aniline
CID 59231299
4-amino-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide
CID 70892650
1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)urea
CID 67194486
O-methyl N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]carbamothioate
CID 6934493
N-[4-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 118376519

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea (CID 94336075) is 1-(cyclopropylmethyl)-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea is C[C@@H]1CN(c2ccc(NC(=O)NCC3CC3)cc2)C[C@@H](C)O1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea?
The InChIKey is ZENVEDCQTPJQEB-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-10-20(11-13(2)22-12)16-7-5-15(6-8-16)19-17(21)18-9-14-3-4-14/h5-8,12-14H,3-4,9-11H2,1-2H3,(H2,18,19,21)/t12-,13-/m1/s1.
What are the key properties of 1-(cyclopropylmethyl)-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea?
1-(cyclopropylmethyl)-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea has a molecular weight of 303.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea is sourced from PubChem (CID 94336075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).