2-[(4-ethylmorpholin-2-yl)methylamino]-N-propylacetamide

C12H25N3O2 — CID 78960685

IUPAC2-[(4-ethylmorpholin-2-yl)methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCC1CN(CC)CCO1
InChIInChI=1S/C12H25N3O2/c1-3-5-14-12(16)9-13-8-11-10-15(4-2)6-7-17-11/h11,13H,3-10H2,1-2H3,(H,14,16)
InChIKeyBNIAKMNLYZFUDC-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.18
Rot. Bonds7

About 2-[(4-ethylmorpholin-2-yl)methylamino]-N-propylacetamide

2-[(4-ethylmorpholin-2-yl)methylamino]-N-propylacetamide (PubChem CID 78960685) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[(4-ethylmorpholin-2-yl)methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(4-ethylmorpholin-2-yl)methylamino]-N-propylacetamide
PubChem CID78960685
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[(4-ethylmorpholin-2-yl)methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCC1CN(CC)CCO1
InChIInChI=1S/C12H25N3O2/c1-3-5-14-12(16)9-13-8-11-10-15(4-2)6-7-17-11/h11,13H,3-10H2,1-2H3,(H,14,16)
InChIKeyBNIAKMNLYZFUDC-UHFFFAOYSA-N
XLogP-0.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethylmorpholin-2-yl)methylamino]-N-propylpropanamide
CID 79165758
2-[(4-methylmorpholin-2-yl)methylamino]-N-propylacetamide
CID 78945295
2-[(4-ethylmorpholin-2-yl)methylamino]-N,N-dimethylacetamide
CID 78960517
2-(cyclopropylamino)-N-[(4-ethylmorpholin-2-yl)methyl]acetamide
CID 115976412
tert-butyl 2-[(4-ethylmorpholin-2-yl)methylamino]acetate
CID 113235636
2-[(4-ethylmorpholin-2-yl)methylamino]ethyl carbamate
CID 83210717
2-[(4-ethylmorpholin-2-yl)methylamino]-N-(4-fluorophenyl)acetamide
CID 115626310
N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxyacetamide
CID 115629823
2-[2-(aminomethyl)morpholin-4-yl]-N-propylacetamide
CID 61336633
N-cyclopropyl-4-[(4-ethylmorpholin-2-yl)methylamino]butanamide
CID 79393887
N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 79165979
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide
CID 114400114

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylmorpholin-2-yl)methylamino]-N-propylacetamide?
The IUPAC name of 2-[(4-ethylmorpholin-2-yl)methylamino]-N-propylacetamide (CID 78960685) is 2-[(4-ethylmorpholin-2-yl)methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(4-ethylmorpholin-2-yl)methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(4-ethylmorpholin-2-yl)methylamino]-N-propylacetamide is CCCNC(=O)CNCC1CN(CC)CCO1.
What is the InChIKey of 2-[(4-ethylmorpholin-2-yl)methylamino]-N-propylacetamide?
The InChIKey is BNIAKMNLYZFUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-3-5-14-12(16)9-13-8-11-10-15(4-2)6-7-17-11/h11,13H,3-10H2,1-2H3,(H,14,16).
What are the key properties of 2-[(4-ethylmorpholin-2-yl)methylamino]-N-propylacetamide?
2-[(4-ethylmorpholin-2-yl)methylamino]-N-propylacetamide has a molecular weight of 243.35 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylmorpholin-2-yl)methylamino]-N-propylacetamide is sourced from PubChem (CID 78960685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).