N-(2-chloropropanoyl)-2,2-dimethylmorpholine-4-carboxamide

C10H17ClN2O3 — CID 43593160

IUPACN-(2-chloropropanoyl)-2,2-dimethylmorpholine-4-carboxamide
SMILESCC(Cl)C(=O)NC(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C10H17ClN2O3/c1-7(11)8(14)12-9(15)13-4-5-16-10(2,3)6-13/h7H,4-6H2,1-3H3,(H,12,14,15)
InChIKeyGCKCWSKMXGHHIP-UHFFFAOYSA-N
MW248.71 g/mol
LogP0.96
Rot. Bonds1

About N-(2-chloropropanoyl)-2,2-dimethylmorpholine-4-carboxamide

N-(2-chloropropanoyl)-2,2-dimethylmorpholine-4-carboxamide (PubChem CID 43593160) has the molecular formula C10H17ClN2O3 and a molecular weight of 248.71 g/mol. Its IUPAC name is N-(2-chloropropanoyl)-2,2-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloropropanoyl)-2,2-dimethylmorpholine-4-carboxamide
PubChem CID43593160
Molecular FormulaC10H17ClN2O3
Molecular Weight248.71 g/mol
Exact Mass248.09
IUPAC NameN-(2-chloropropanoyl)-2,2-dimethylmorpholine-4-carboxamide
SMILESCC(Cl)C(=O)NC(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C10H17ClN2O3/c1-7(11)8(14)12-9(15)13-4-5-16-10(2,3)6-13/h7H,4-6H2,1-3H3,(H,12,14,15)
InChIKeyGCKCWSKMXGHHIP-UHFFFAOYSA-N
XLogP0.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(1S)-2,2,2-trichloro-1-morpholin-4-ylethyl]propanamide
CID 7374724
2-methyl-N-[2,2,2-trichloro-1-(2,6-dimethylmorpholin-4-yl)ethyl]propanamide
CID 3103505
N-(2,2,2-trichloro-1-(2,6-dimethylmorpholino)ethyl)propionamide
CID 3103519
2-methyl-N-[2,2,2-trichloro-1-(morpholin-4-yl)ethyl]propanamide
CID 4127752
N-(2-chloroacetyl)morpholine-4-carboxamide
CID 19995775
2-methyl-N-[(1S)-2,2,2-trichloro-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]propanamide
CID 822563
N-[(1S)-2,2,2-trichloro-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]propanamide
CID 822571
N-[(1R)-2,2,2-trichloro-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]propanamide
CID 1205566
2-methyl-N-[(1S)-2,2,2-trichloro-1-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]ethyl]propanamide
CID 6947172
N-[(1S)-2,2,2-trichloro-1-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethyl]propanamide
CID 6947175
N-[(1R)-2,2,2-trichloro-1-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethyl]propanamide
CID 6974075
N-[(1R)-2,2,2-trichloro-1-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]ethyl]propanamide
CID 7090465

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropanoyl)-2,2-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-(2-chloropropanoyl)-2,2-dimethylmorpholine-4-carboxamide (CID 43593160) is N-(2-chloropropanoyl)-2,2-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-(2-chloropropanoyl)-2,2-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-(2-chloropropanoyl)-2,2-dimethylmorpholine-4-carboxamide is CC(Cl)C(=O)NC(=O)N1CCOC(C)(C)C1.
What is the InChIKey of N-(2-chloropropanoyl)-2,2-dimethylmorpholine-4-carboxamide?
The InChIKey is GCKCWSKMXGHHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O3/c1-7(11)8(14)12-9(15)13-4-5-16-10(2,3)6-13/h7H,4-6H2,1-3H3,(H,12,14,15).
What are the key properties of N-(2-chloropropanoyl)-2,2-dimethylmorpholine-4-carboxamide?
N-(2-chloropropanoyl)-2,2-dimethylmorpholine-4-carboxamide has a molecular weight of 248.71 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropanoyl)-2,2-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 43593160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).