N-(3-aminopropyl)-2-(2,6-dimethylmorpholin-4-yl)-N-formyl-2-oxoacetamide

C12H21N3O4 — CID 108504039

IUPACN-(3-aminopropyl)-2-(2,6-dimethylmorpholin-4-yl)-N-formyl-2-oxoacetamide
SMILESCC1CN(C(=O)C(=O)N(C=O)CCCN)CC(C)O1
InChIInChI=1S/C12H21N3O4/c1-9-6-15(7-10(2)19-9)12(18)11(17)14(8-16)5-3-4-13/h8-10H,3-7,13H2,1-2H3
InChIKeyBFDRFOBYGQAKBJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP-1.04
Rot. Bonds4

About N-(3-aminopropyl)-2-(2,6-dimethylmorpholin-4-yl)-N-formyl-2-oxoacetamide

N-(3-aminopropyl)-2-(2,6-dimethylmorpholin-4-yl)-N-formyl-2-oxoacetamide (PubChem CID 108504039) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(2,6-dimethylmorpholin-4-yl)-N-formyl-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(2,6-dimethylmorpholin-4-yl)-N-formyl-2-oxoacetamide
PubChem CID108504039
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC NameN-(3-aminopropyl)-2-(2,6-dimethylmorpholin-4-yl)-N-formyl-2-oxoacetamide
SMILESCC1CN(C(=O)C(=O)N(C=O)CCCN)CC(C)O1
InChIInChI=1S/C12H21N3O4/c1-9-6-15(7-10(2)19-9)12(18)11(17)14(8-16)5-3-4-13/h8-10H,3-7,13H2,1-2H3
InChIKeyBFDRFOBYGQAKBJ-UHFFFAOYSA-N
XLogP-1.04
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[2-[3-aminopropyl(formyl)amino]-2-oxoacetyl]piperidine-4-carboxylate
CID 108504251
2-(2,6-dimethylmorpholin-4-yl)-N,N-diethyl-2-oxoacetamide
CID 108504011
ethyl N-(2-aminoethyl)-N-[(Z)-2-cyano-3-(2,6-dimethylmorpholin-4-yl)-3-oxoprop-1-enyl]carbamate
CID 108830944
3-amino-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 16784840
1-(2,6-dimethylmorpholin-4-yl)propane-1,2-dione
CID 131176238
ethyl 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetate
CID 7027814
4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]piperazine-1-carbaldehyde
CID 108504066
N-(3-aminopropyl)-N-[[(E)-but-1-enyl]carbamoyl]formamide
CID 108910721
2-(2,6-dimethylmorpholin-4-yl)-N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide
CID 108504024
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbut-2-en-1-one
CID 52520989
3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one
CID 104958278
(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid
CID 137442866

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(2,6-dimethylmorpholin-4-yl)-N-formyl-2-oxoacetamide?
The IUPAC name of N-(3-aminopropyl)-2-(2,6-dimethylmorpholin-4-yl)-N-formyl-2-oxoacetamide (CID 108504039) is N-(3-aminopropyl)-2-(2,6-dimethylmorpholin-4-yl)-N-formyl-2-oxoacetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(2,6-dimethylmorpholin-4-yl)-N-formyl-2-oxoacetamide?
The canonical SMILES for N-(3-aminopropyl)-2-(2,6-dimethylmorpholin-4-yl)-N-formyl-2-oxoacetamide is CC1CN(C(=O)C(=O)N(C=O)CCCN)CC(C)O1.
What is the InChIKey of N-(3-aminopropyl)-2-(2,6-dimethylmorpholin-4-yl)-N-formyl-2-oxoacetamide?
The InChIKey is BFDRFOBYGQAKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-9-6-15(7-10(2)19-9)12(18)11(17)14(8-16)5-3-4-13/h8-10H,3-7,13H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-2-(2,6-dimethylmorpholin-4-yl)-N-formyl-2-oxoacetamide?
N-(3-aminopropyl)-2-(2,6-dimethylmorpholin-4-yl)-N-formyl-2-oxoacetamide has a molecular weight of 271.32 g/mol, XLogP of -1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(2,6-dimethylmorpholin-4-yl)-N-formyl-2-oxoacetamide is sourced from PubChem (CID 108504039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).