2-amino-N-(3-methoxypropyl)-N-methylpropanamide

C8H18N2O2 — CID 63010028

IUPAC2-amino-N-(3-methoxypropyl)-N-methylpropanamide
SMILESCOCCCN(C)C(=O)C(C)N
InChIInChI=1S/C8H18N2O2/c1-7(9)8(11)10(2)5-4-6-12-3/h7H,4-6,9H2,1-3H3
InChIKeyVRQYYBSJTCRKJP-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.17
Rot. Bonds5

About 2-amino-N-(3-methoxypropyl)-N-methylpropanamide

2-amino-N-(3-methoxypropyl)-N-methylpropanamide (PubChem CID 63010028) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-amino-N-(3-methoxypropyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3-methoxypropyl)-N-methylpropanamide
PubChem CID63010028
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name2-amino-N-(3-methoxypropyl)-N-methylpropanamide
SMILESCOCCCN(C)C(=O)C(C)N
InChIInChI=1S/C8H18N2O2/c1-7(9)8(11)10(2)5-4-6-12-3/h7H,4-6,9H2,1-3H3
InChIKeyVRQYYBSJTCRKJP-UHFFFAOYSA-N
XLogP-0.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-methoxy-N-(3-methoxypropyl)-N-methylpentanamide
CID 81088448
(2S,3S)-2-amino-N-(3-methoxypropyl)-N,3-dimethylpentanamide
CID 63009481
2-amino-N-(3-methoxypropyl)-N-methylbutanamide
CID 63010217
(2S)-2-amino-N-(3-methoxypropyl)-N-methylbutanamide
CID 79023136
2-amino-N-(2-hydroxyethyl)-5-methoxy-N-methylpentanamide
CID 81082818
(2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107199234
N-(3-methoxypropyl)-N,2-dimethyl-3-(methylamino)propanamide
CID 79202132
2-amino-N-(2-hydroxyethyl)-N-methylpropanamide
CID 56831806
2-amino-5-methoxy-N-methyl-N-pentylpentanamide
CID 81082325
2-amino-3-cyclohexyl-N-(3-methoxypropyl)-N-methylpropanamide
CID 114264774
(2S)-2-amino-N-(2-methoxyethyl)-N,4-dimethylpentanamide
CID 61159296
(2S)-2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]propanamide;hydrochloride
CID 119306168

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methoxypropyl)-N-methylpropanamide?
The IUPAC name of 2-amino-N-(3-methoxypropyl)-N-methylpropanamide (CID 63010028) is 2-amino-N-(3-methoxypropyl)-N-methylpropanamide.
What is the SMILES notation for 2-amino-N-(3-methoxypropyl)-N-methylpropanamide?
The canonical SMILES for 2-amino-N-(3-methoxypropyl)-N-methylpropanamide is COCCCN(C)C(=O)C(C)N.
What is the InChIKey of 2-amino-N-(3-methoxypropyl)-N-methylpropanamide?
The InChIKey is VRQYYBSJTCRKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-7(9)8(11)10(2)5-4-6-12-3/h7H,4-6,9H2,1-3H3.
What are the key properties of 2-amino-N-(3-methoxypropyl)-N-methylpropanamide?
2-amino-N-(3-methoxypropyl)-N-methylpropanamide has a molecular weight of 174.24 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methoxypropyl)-N-methylpropanamide is sourced from PubChem (CID 63010028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).