2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide

C10H21N3O3 — CID 81082656

IUPAC2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
SMILESCOCC(N)C(=O)N(C)CC(=O)NC(C)C
InChIInChI=1S/C10H21N3O3/c1-7(2)12-9(14)5-13(3)10(15)8(11)6-16-4/h7-8H,5-6,11H2,1-4H3,(H,12,14)
InChIKeyHCWAFIMXXHEWPU-UHFFFAOYSA-N
MW231.30 g/mol
LogP-1.06
Rot. Bonds6

About 2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide

2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide (PubChem CID 81082656) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
PubChem CID81082656
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
SMILESCOCC(N)C(=O)N(C)CC(=O)NC(C)C
InChIInChI=1S/C10H21N3O3/c1-7(2)12-9(14)5-13(3)10(15)8(11)6-16-4/h7-8H,5-6,11H2,1-4H3,(H,12,14)
InChIKeyHCWAFIMXXHEWPU-UHFFFAOYSA-N
XLogP-1.06
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methoxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 81081950
(2S)-2-amino-N,4-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 61165022
2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 60937489
2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
CID 81082824
(2S)-2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide;hydrochloride
CID 119272094
(2R)-2-amino-N,3,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 113353361
2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-3-methoxy-N-methylpropanamide
CID 120983235
2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylpropanamide
CID 81089598
2-amino-4-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbutanamide
CID 62474499
2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 60661823
3-amino-4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoic acid
CID 64895138
methyl 2-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]acetate
CID 104903114

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The IUPAC name of 2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide (CID 81082656) is 2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide is COCC(N)C(=O)N(C)CC(=O)NC(C)C.
What is the InChIKey of 2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The InChIKey is HCWAFIMXXHEWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-7(2)12-9(14)5-13(3)10(15)8(11)6-16-4/h7-8H,5-6,11H2,1-4H3,(H,12,14).
What are the key properties of 2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide has a molecular weight of 231.30 g/mol, XLogP of -1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide is sourced from PubChem (CID 81082656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).