N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]morpholine-4-carboxamide

C12H23N3O3 — CID 116657762

IUPACN-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]morpholine-4-carboxamide
SMILESCC(C)CNC(=O)CN(C)C(=O)N1CCOCC1
InChIInChI=1S/C12H23N3O3/c1-10(2)8-13-11(16)9-14(3)12(17)15-4-6-18-7-5-15/h10H,4-9H2,1-3H3,(H,13,16)
InChIKeyLFRVPYSCGBYYRE-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.14
Rot. Bonds4

About N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]morpholine-4-carboxamide

N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]morpholine-4-carboxamide (PubChem CID 116657762) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]morpholine-4-carboxamide
PubChem CID116657762
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]morpholine-4-carboxamide
SMILESCC(C)CNC(=O)CN(C)C(=O)N1CCOCC1
InChIInChI=1S/C12H23N3O3/c1-10(2)8-13-11(16)9-14(3)12(17)15-4-6-18-7-5-15/h10H,4-9H2,1-3H3,(H,13,16)
InChIKeyLFRVPYSCGBYYRE-UHFFFAOYSA-N
XLogP0.14
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-N-(2-methylpropyl)acetamide
CID 20735570
N-[2-(ethylamino)-2-oxoethyl]-N-methylazepane-1-carboxamide
CID 116654823
3-methyl-1-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 102783007
N-(2-methoxyethyl)-N-methylmorpholine-4-carboxamide
CID 115589220
2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]-N-(2-methylpropyl)acetamide
CID 167769215
N-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
CID 83039783
N-(5-aminopentyl)-N-methylmorpholine-4-carboxamide
CID 107206795
2-[cyclohexylcarbamoyl(methyl)amino]-N-(2-methylpropyl)acetamide
CID 116657767
N-(2,3-dimethylbutyl)morpholine-4-carboxamide
CID 115642976
N-(3-methyl-2-oxobutyl)morpholine-4-carboxamide
CID 79152408
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxamide
CID 55005313
3-amino-N,2-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-3-sulfanylidenepropanamide
CID 113409349

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]morpholine-4-carboxamide?
The IUPAC name of N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]morpholine-4-carboxamide (CID 116657762) is N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]morpholine-4-carboxamide?
The canonical SMILES for N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]morpholine-4-carboxamide is CC(C)CNC(=O)CN(C)C(=O)N1CCOCC1.
What is the InChIKey of N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]morpholine-4-carboxamide?
The InChIKey is LFRVPYSCGBYYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-10(2)8-13-11(16)9-14(3)12(17)15-4-6-18-7-5-15/h10H,4-9H2,1-3H3,(H,13,16).
What are the key properties of N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]morpholine-4-carboxamide?
N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]morpholine-4-carboxamide has a molecular weight of 257.33 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]morpholine-4-carboxamide is sourced from PubChem (CID 116657762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).