1-(cyclobutylmethyl)-3-[[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]urea

C20H29N3O3 — CID 95225967

IUPAC1-(cyclobutylmethyl)-3-[[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]urea
SMILESC[C@H]1CN(C(=O)c2ccc(CNC(=O)NCC3CCC3)cc2)C[C@H](C)O1
InChIInChI=1S/C20H29N3O3/c1-14-12-23(13-15(2)26-14)19(24)18-8-6-17(7-9-18)11-22-20(25)21-10-16-4-3-5-16/h6-9,14-16H,3-5,10-13H2,1-2H3,(H2,21,22,25)/t14-,15-/m0/s1
InChIKeyYPXLFNXNNDGLRY-GJZGRUSLSA-N
MW359.47 g/mol
LogP2.54
Rot. Bonds5

About 1-(cyclobutylmethyl)-3-[[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]urea

1-(cyclobutylmethyl)-3-[[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]urea (PubChem CID 95225967) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-[[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]urea.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-[[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]urea
PubChem CID95225967
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-(cyclobutylmethyl)-3-[[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]urea
SMILESC[C@H]1CN(C(=O)c2ccc(CNC(=O)NCC3CCC3)cc2)C[C@H](C)O1
InChIInChI=1S/C20H29N3O3/c1-14-12-23(13-15(2)26-14)19(24)18-8-6-17(7-9-18)11-22-20(25)21-10-16-4-3-5-16/h6-9,14-16H,3-5,10-13H2,1-2H3,(H2,21,22,25)/t14-,15-/m0/s1
InChIKeyYPXLFNXNNDGLRY-GJZGRUSLSA-N
XLogP2.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(cyclobutylmethyl)-3-[[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]urea with MolForge

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Related Compounds

1-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-3-(2-piperidin-1-ylethyl)urea
CID 95678855
1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 47985084
1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-3-[4-(4-methylpiperazin-1-yl)butyl]urea
CID 56527331
1-cyclopentyl-3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 110990252
3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 146081496
N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210928
N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperidine-3-carboxamide
CID 119305558
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
1-(1,3-benzothiazol-2-ylmethyl)-3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]urea
CID 166182090
N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119752614
N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111738824
2-[(1S)-cyclopent-2-en-1-yl]-N-[[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]acetamide
CID 52511200

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-[[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]urea?
The IUPAC name of 1-(cyclobutylmethyl)-3-[[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]urea (CID 95225967) is 1-(cyclobutylmethyl)-3-[[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]urea.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-[[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]urea?
The canonical SMILES for 1-(cyclobutylmethyl)-3-[[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]urea is C[C@H]1CN(C(=O)c2ccc(CNC(=O)NCC3CCC3)cc2)C[C@H](C)O1.
What is the InChIKey of 1-(cyclobutylmethyl)-3-[[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]urea?
The InChIKey is YPXLFNXNNDGLRY-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14-12-23(13-15(2)26-14)19(24)18-8-6-17(7-9-18)11-22-20(25)21-10-16-4-3-5-16/h6-9,14-16H,3-5,10-13H2,1-2H3,(H2,21,22,25)/t14-,15-/m0/s1.
What are the key properties of 1-(cyclobutylmethyl)-3-[[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]urea?
1-(cyclobutylmethyl)-3-[[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]urea has a molecular weight of 359.47 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-[[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]urea is sourced from PubChem (CID 95225967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).