2-[(3-hydroxypropoxymethylamino)methyl]butanamide

C9H20N2O3 — CID 163639510

IUPAC2-[(3-hydroxypropoxymethylamino)methyl]butanamide
SMILESCCC(CNCOCCCO)C(N)=O
InChIInChI=1S/C9H20N2O3/c1-2-8(9(10)13)6-11-7-14-5-3-4-12/h8,11-12H,2-7H2,1H3,(H2,10,13)
InChIKeyCVGUSHUNVDXMFL-UHFFFAOYSA-N
MW204.27 g/mol
LogP-0.56
Rot. Bonds9

About 2-[(3-hydroxypropoxymethylamino)methyl]butanamide

2-[(3-hydroxypropoxymethylamino)methyl]butanamide (PubChem CID 163639510) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[(3-hydroxypropoxymethylamino)methyl]butanamide.

Molecular Properties

Compound Name2-[(3-hydroxypropoxymethylamino)methyl]butanamide
PubChem CID163639510
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name2-[(3-hydroxypropoxymethylamino)methyl]butanamide
SMILESCCC(CNCOCCCO)C(N)=O
InChIInChI=1S/C9H20N2O3/c1-2-8(9(10)13)6-11-7-14-5-3-4-12/h8,11-12H,2-7H2,1H3,(H2,10,13)
InChIKeyCVGUSHUNVDXMFL-UHFFFAOYSA-N
XLogP-0.56
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(3-methoxypropylamino)methyl]butanamide
CID 71433398
2-ethyl-5-hydroxypentanamide
CID 21402948
2-[3-(2-hydroxyethoxy)propylamino]butanamide
CID 106309792
2-[(benzylamino)methyl]butanamide
CID 71433052
5-hydroxy-2-propylpentanamide
CID 21402979
2-ethylpentanamide;hydrochloride
CID 121334657
ethane;2-ethylpentanamide
CID 178117178
2-ethyl-5-hydroxypentanamide;3-ethyl-5-hydroxypentanamide
CID 88844198
3-hydroxypropyl 2-methylbutanoate;octadecyl 2-methylbutanoate
CID 91132998
2-hydroxyethyl 6-amino-2-ethyl-5-methyl-6-oxohexanoate
CID 22892686
2-ethyl-4-(propylamino)butanamide
CID 143325556
4-(3-hydroxypropoxy)butyl acetate
CID 19879655

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxypropoxymethylamino)methyl]butanamide?
The IUPAC name of 2-[(3-hydroxypropoxymethylamino)methyl]butanamide (CID 163639510) is 2-[(3-hydroxypropoxymethylamino)methyl]butanamide.
What is the SMILES notation for 2-[(3-hydroxypropoxymethylamino)methyl]butanamide?
The canonical SMILES for 2-[(3-hydroxypropoxymethylamino)methyl]butanamide is CCC(CNCOCCCO)C(N)=O.
What is the InChIKey of 2-[(3-hydroxypropoxymethylamino)methyl]butanamide?
The InChIKey is CVGUSHUNVDXMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-2-8(9(10)13)6-11-7-14-5-3-4-12/h8,11-12H,2-7H2,1H3,(H2,10,13).
What are the key properties of 2-[(3-hydroxypropoxymethylamino)methyl]butanamide?
2-[(3-hydroxypropoxymethylamino)methyl]butanamide has a molecular weight of 204.27 g/mol, XLogP of -0.56, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxypropoxymethylamino)methyl]butanamide is sourced from PubChem (CID 163639510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).