1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea

C11H23N3O2 — CID 110747047

IUPAC1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea
SMILESCN1CCOC(CNC(=O)NC(C)(C)C)C1
InChIInChI=1S/C11H23N3O2/c1-11(2,3)13-10(15)12-7-9-8-14(4)5-6-16-9/h9H,5-8H2,1-4H3,(H2,12,13,15)
InChIKeyMPEZPNCRMTXVHX-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.41
Rot. Bonds2

About 1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea

1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea (PubChem CID 110747047) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea
PubChem CID110747047
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea
SMILESCN1CCOC(CNC(=O)NC(C)(C)C)C1
InChIInChI=1S/C11H23N3O2/c1-11(2,3)13-10(15)12-7-9-8-14(4)5-6-16-9/h9H,5-8H2,1-4H3,(H2,12,13,15)
InChIKeyMPEZPNCRMTXVHX-UHFFFAOYSA-N
XLogP0.41
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid
CID 79071785
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
2-hydroxy-2-methyl-3-[(4-methylmorpholin-2-yl)methylcarbamoylamino]propanoic acid
CID 79070869
3,3-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 49094753
(2R)-3,3-dimethyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid
CID 103928142
ethyl 2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetate
CID 78942696
2-amino-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 79811490
2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973
methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate
CID 112617409
(2S)-2-hydroxy-4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid
CID 114007613
2-cyclopropyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetic acid
CID 79071967

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea?
The IUPAC name of 1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea (CID 110747047) is 1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea?
The canonical SMILES for 1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea is CN1CCOC(CNC(=O)NC(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea?
The InChIKey is MPEZPNCRMTXVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-11(2,3)13-10(15)12-7-9-8-14(4)5-6-16-9/h9H,5-8H2,1-4H3,(H2,12,13,15).
What are the key properties of 1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea?
1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea has a molecular weight of 229.32 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea is sourced from PubChem (CID 110747047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).