2-amino-3-[2-(methoxymethyl)anilino]propanamide

C11H17N3O2 — CID 103247186

IUPAC2-amino-3-[2-(methoxymethyl)anilino]propanamide
SMILESCOCc1ccccc1NCC(N)C(N)=O
InChIInChI=1S/C11H17N3O2/c1-16-7-8-4-2-3-5-10(8)14-6-9(12)11(13)15/h2-5,9,14H,6-7,12H2,1H3,(H2,13,15)
InChIKeyRRNMHAPGUPDFCU-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.06
Rot. Bonds6

About 2-amino-3-[2-(methoxymethyl)anilino]propanamide

2-amino-3-[2-(methoxymethyl)anilino]propanamide (PubChem CID 103247186) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-amino-3-[2-(methoxymethyl)anilino]propanamide.

Molecular Properties

Compound Name2-amino-3-[2-(methoxymethyl)anilino]propanamide
PubChem CID103247186
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-amino-3-[2-(methoxymethyl)anilino]propanamide
SMILESCOCc1ccccc1NCC(N)C(N)=O
InChIInChI=1S/C11H17N3O2/c1-16-7-8-4-2-3-5-10(8)14-6-9(12)11(13)15/h2-5,9,14H,6-7,12H2,1H3,(H2,13,15)
InChIKeyRRNMHAPGUPDFCU-UHFFFAOYSA-N
XLogP0.06
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(2-propylanilino)propanamide
CID 103246191
3-amino-4-[2-(methoxymethyl)anilino]-4-oxobutanoic acid
CID 64896269
(2R)-2-amino-N-[2-(methoxymethyl)phenyl]propanamide;hydrochloride
CID 119288747
2-amino-N-[2-(methoxymethyl)phenyl]pentanamide
CID 43701011
2-amino-3-(2-ethylanilino)propanoic acid
CID 103235875
2-amino-N-[2-(methoxymethyl)phenyl]-3-methylbutanamide
CID 43700969
(2S)-2-amino-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide
CID 104897233
1-[2-(methoxymethyl)phenyl]-3-methylurea
CID 115582115
4-[[2-(methoxymethyl)anilino]methyl]-3-methylbenzamide
CID 114480071
5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carboxamide
CID 79613750
N-[2-(methoxymethyl)phenyl]-2-(methylamino)propanamide
CID 62637466
2-amino-3-(4-fluoro-2-methoxyanilino)propanamide
CID 103245523

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(methoxymethyl)anilino]propanamide?
The IUPAC name of 2-amino-3-[2-(methoxymethyl)anilino]propanamide (CID 103247186) is 2-amino-3-[2-(methoxymethyl)anilino]propanamide.
What is the SMILES notation for 2-amino-3-[2-(methoxymethyl)anilino]propanamide?
The canonical SMILES for 2-amino-3-[2-(methoxymethyl)anilino]propanamide is COCc1ccccc1NCC(N)C(N)=O.
What is the InChIKey of 2-amino-3-[2-(methoxymethyl)anilino]propanamide?
The InChIKey is RRNMHAPGUPDFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-16-7-8-4-2-3-5-10(8)14-6-9(12)11(13)15/h2-5,9,14H,6-7,12H2,1H3,(H2,13,15).
What are the key properties of 2-amino-3-[2-(methoxymethyl)anilino]propanamide?
2-amino-3-[2-(methoxymethyl)anilino]propanamide has a molecular weight of 223.28 g/mol, XLogP of 0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(methoxymethyl)anilino]propanamide is sourced from PubChem (CID 103247186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).