4,4-dichloro-N-[(4-methylmorpholin-2-yl)methyl]but-3-enamide

C10H16Cl2N2O2 — CID 167947409

IUPAC4,4-dichloro-N-[(4-methylmorpholin-2-yl)methyl]but-3-enamide
SMILESCN1CCOC(CNC(=O)CC=C(Cl)Cl)C1
InChIInChI=1S/C10H16Cl2N2O2/c1-14-4-5-16-8(7-14)6-13-10(15)3-2-9(11)12/h2,8H,3-7H2,1H3,(H,13,15)
InChIKeyVVZDQBQBKKFBIM-UHFFFAOYSA-N
MW267.16 g/mol
LogP1.14
Rot. Bonds4

About 4,4-dichloro-N-[(4-methylmorpholin-2-yl)methyl]but-3-enamide

4,4-dichloro-N-[(4-methylmorpholin-2-yl)methyl]but-3-enamide (PubChem CID 167947409) has the molecular formula C10H16Cl2N2O2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 4,4-dichloro-N-[(4-methylmorpholin-2-yl)methyl]but-3-enamide.

Molecular Properties

Compound Name4,4-dichloro-N-[(4-methylmorpholin-2-yl)methyl]but-3-enamide
PubChem CID167947409
Molecular FormulaC10H16Cl2N2O2
Molecular Weight267.16 g/mol
Exact Mass266.06
IUPAC Name4,4-dichloro-N-[(4-methylmorpholin-2-yl)methyl]but-3-enamide
SMILESCN1CCOC(CNC(=O)CC=C(Cl)Cl)C1
InChIInChI=1S/C10H16Cl2N2O2/c1-14-4-5-16-8(7-14)6-13-10(15)3-2-9(11)12/h2,8H,3-7H2,1H3,(H,13,15)
InChIKeyVVZDQBQBKKFBIM-UHFFFAOYSA-N
XLogP1.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
3,3-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 49094753
2-(azetidin-3-yl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 79083364
3-(cyclopropylamino)-N-[(4-methylmorpholin-2-yl)methyl]propanamide
CID 79082583
2-amino-N-[2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoethyl]acetamide
CID 79082878
2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973
methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate
CID 112617409
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
2-[(4-methylmorpholin-2-yl)methylamino]-N-propylacetamide
CID 78945295
2-(2-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 49093905
1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea
CID 110747047

Frequently Asked Questions

What is the IUPAC name of 4,4-dichloro-N-[(4-methylmorpholin-2-yl)methyl]but-3-enamide?
The IUPAC name of 4,4-dichloro-N-[(4-methylmorpholin-2-yl)methyl]but-3-enamide (CID 167947409) is 4,4-dichloro-N-[(4-methylmorpholin-2-yl)methyl]but-3-enamide.
What is the SMILES notation for 4,4-dichloro-N-[(4-methylmorpholin-2-yl)methyl]but-3-enamide?
The canonical SMILES for 4,4-dichloro-N-[(4-methylmorpholin-2-yl)methyl]but-3-enamide is CN1CCOC(CNC(=O)CC=C(Cl)Cl)C1.
What is the InChIKey of 4,4-dichloro-N-[(4-methylmorpholin-2-yl)methyl]but-3-enamide?
The InChIKey is VVZDQBQBKKFBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl2N2O2/c1-14-4-5-16-8(7-14)6-13-10(15)3-2-9(11)12/h2,8H,3-7H2,1H3,(H,13,15).
What are the key properties of 4,4-dichloro-N-[(4-methylmorpholin-2-yl)methyl]but-3-enamide?
4,4-dichloro-N-[(4-methylmorpholin-2-yl)methyl]but-3-enamide has a molecular weight of 267.16 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dichloro-N-[(4-methylmorpholin-2-yl)methyl]but-3-enamide is sourced from PubChem (CID 167947409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).