1-benzyl-3-[2-(4-methylmorpholin-2-yl)ethyl]urea

C15H23N3O2 — CID 110747007

IUPAC1-benzyl-3-[2-(4-methylmorpholin-2-yl)ethyl]urea
SMILESCN1CCOC(CCNC(=O)NCc2ccccc2)C1
InChIInChI=1S/C15H23N3O2/c1-18-9-10-20-14(12-18)7-8-16-15(19)17-11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H2,16,17,19)
InChIKeyCBEMUMNQICLPAK-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.21
Rot. Bonds5

About 1-benzyl-3-[2-(4-methylmorpholin-2-yl)ethyl]urea

1-benzyl-3-[2-(4-methylmorpholin-2-yl)ethyl]urea (PubChem CID 110747007) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-benzyl-3-[2-(4-methylmorpholin-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-(4-methylmorpholin-2-yl)ethyl]urea
PubChem CID110747007
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-benzyl-3-[2-(4-methylmorpholin-2-yl)ethyl]urea
SMILESCN1CCOC(CCNC(=O)NCc2ccccc2)C1
InChIInChI=1S/C15H23N3O2/c1-18-9-10-20-14(12-18)7-8-16-15(19)17-11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H2,16,17,19)
InChIKeyCBEMUMNQICLPAK-UHFFFAOYSA-N
XLogP1.21
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
2-[benzylcarbamoyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide
CID 128996448
2-(2-methoxyphenoxy)-N-[2-(4-methylmorpholin-2-yl)ethyl]acetamide
CID 110709914
3-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide
CID 110709908
N-[2-(4-methylmorpholin-2-yl)ethyl]-4-pyrrol-1-ylbenzamide
CID 110741493
N-[2-(4-methylmorpholin-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 110709882
1,3,7-trimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]indole-2-carboxamide
CID 56717402
2,2-dimethyl-N-[2-(4-phenylmorpholin-2-yl)ethyl]propanamide
CID 110709813
2-(3-cyano-2-methylindol-1-yl)-N-[2-(4-methylmorpholin-2-yl)ethyl]acetamide
CID 56707417
3,4-difluoro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide
CID 110709915
1-[2-(4-phenylmorpholin-2-yl)ethyl]-3-propan-2-ylurea
CID 110746999
N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 95197355

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(4-methylmorpholin-2-yl)ethyl]urea?
The IUPAC name of 1-benzyl-3-[2-(4-methylmorpholin-2-yl)ethyl]urea (CID 110747007) is 1-benzyl-3-[2-(4-methylmorpholin-2-yl)ethyl]urea.
What is the SMILES notation for 1-benzyl-3-[2-(4-methylmorpholin-2-yl)ethyl]urea?
The canonical SMILES for 1-benzyl-3-[2-(4-methylmorpholin-2-yl)ethyl]urea is CN1CCOC(CCNC(=O)NCc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-[2-(4-methylmorpholin-2-yl)ethyl]urea?
The InChIKey is CBEMUMNQICLPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18-9-10-20-14(12-18)7-8-16-15(19)17-11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H2,16,17,19).
What are the key properties of 1-benzyl-3-[2-(4-methylmorpholin-2-yl)ethyl]urea?
1-benzyl-3-[2-(4-methylmorpholin-2-yl)ethyl]urea has a molecular weight of 277.37 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(4-methylmorpholin-2-yl)ethyl]urea is sourced from PubChem (CID 110747007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).