[4-(2-methyl-6-phenylmorpholine-4-carbonyl)phenyl]methylurea

C20H23N3O3 — CID 47914258

IUPAC[4-(2-methyl-6-phenylmorpholine-4-carbonyl)phenyl]methylurea
SMILESCC1CN(C(=O)c2ccc(CNC(N)=O)cc2)CC(c2ccccc2)O1
InChIInChI=1S/C20H23N3O3/c1-14-12-23(13-18(26-14)16-5-3-2-4-6-16)19(24)17-9-7-15(8-10-17)11-22-20(21)25/h2-10,14,18H,11-13H2,1H3,(H3,21,22,25)
InChIKeyNXIGCKXPCTVWIK-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.46
Rot. Bonds4

About [4-(2-methyl-6-phenylmorpholine-4-carbonyl)phenyl]methylurea

[4-(2-methyl-6-phenylmorpholine-4-carbonyl)phenyl]methylurea (PubChem CID 47914258) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is [4-(2-methyl-6-phenylmorpholine-4-carbonyl)phenyl]methylurea.

Molecular Properties

Compound Name[4-(2-methyl-6-phenylmorpholine-4-carbonyl)phenyl]methylurea
PubChem CID47914258
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name[4-(2-methyl-6-phenylmorpholine-4-carbonyl)phenyl]methylurea
SMILESCC1CN(C(=O)c2ccc(CNC(N)=O)cc2)CC(c2ccccc2)O1
InChIInChI=1S/C20H23N3O3/c1-14-12-23(13-18(26-14)16-5-3-2-4-6-16)19(24)17-9-7-15(8-10-17)11-22-20(21)25/h2-10,14,18H,11-13H2,1H3,(H3,21,22,25)
InChIKeyNXIGCKXPCTVWIK-UHFFFAOYSA-N
XLogP2.46
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 95583766
3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 146081496
5-(2-methyl-6-phenylmorpholine-4-carbonyl)-1H-pyridin-2-one
CID 47914673
2-[1-[4-[(carbamoylamino)methyl]benzoyl]azetidin-3-yl]acetic acid
CID 64604965
5-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124694837
5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124692496
5-(2-methyl-6-phenylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
CID 122158408
N-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 94782920
[3-[[benzyl(methyl)amino]methyl]phenyl]-(2-methyl-6-phenylmorpholin-4-yl)methanone
CID 60616199
1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-3-[(2-ethylphenyl)methyl]-2-methylguanidine
CID 111636025
1-benzyl-3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,2-dimethylguanidine;hydroiodide
CID 110950625

Frequently Asked Questions

What is the IUPAC name of [4-(2-methyl-6-phenylmorpholine-4-carbonyl)phenyl]methylurea?
The IUPAC name of [4-(2-methyl-6-phenylmorpholine-4-carbonyl)phenyl]methylurea (CID 47914258) is [4-(2-methyl-6-phenylmorpholine-4-carbonyl)phenyl]methylurea.
What is the SMILES notation for [4-(2-methyl-6-phenylmorpholine-4-carbonyl)phenyl]methylurea?
The canonical SMILES for [4-(2-methyl-6-phenylmorpholine-4-carbonyl)phenyl]methylurea is CC1CN(C(=O)c2ccc(CNC(N)=O)cc2)CC(c2ccccc2)O1.
What is the InChIKey of [4-(2-methyl-6-phenylmorpholine-4-carbonyl)phenyl]methylurea?
The InChIKey is NXIGCKXPCTVWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-12-23(13-18(26-14)16-5-3-2-4-6-16)19(24)17-9-7-15(8-10-17)11-22-20(21)25/h2-10,14,18H,11-13H2,1H3,(H3,21,22,25).
What are the key properties of [4-(2-methyl-6-phenylmorpholine-4-carbonyl)phenyl]methylurea?
[4-(2-methyl-6-phenylmorpholine-4-carbonyl)phenyl]methylurea has a molecular weight of 353.42 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-6-phenylmorpholine-4-carbonyl)phenyl]methylurea is sourced from PubChem (CID 47914258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).