2-[3-(2-hydroxyethoxy)propylamino]butanamide

C9H20N2O3 — CID 106309792

IUPAC2-[3-(2-hydroxyethoxy)propylamino]butanamide
SMILESCCC(NCCCOCCO)C(N)=O
InChIInChI=1S/C9H20N2O3/c1-2-8(9(10)13)11-4-3-6-14-7-5-12/h8,11-12H,2-7H2,1H3,(H2,10,13)
InChIKeySMMQAVFMQGMPMJ-UHFFFAOYSA-N
MW204.27 g/mol
LogP-0.76
Rot. Bonds9

About 2-[3-(2-hydroxyethoxy)propylamino]butanamide

2-[3-(2-hydroxyethoxy)propylamino]butanamide (PubChem CID 106309792) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethoxy)propylamino]butanamide.

Molecular Properties

Compound Name2-[3-(2-hydroxyethoxy)propylamino]butanamide
PubChem CID106309792
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name2-[3-(2-hydroxyethoxy)propylamino]butanamide
SMILESCCC(NCCCOCCO)C(N)=O
InChIInChI=1S/C9H20N2O3/c1-2-8(9(10)13)11-4-3-6-14-7-5-12/h8,11-12H,2-7H2,1H3,(H2,10,13)
InChIKeySMMQAVFMQGMPMJ-UHFFFAOYSA-N
XLogP-0.76
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 ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-(2-hydroxyethoxy)propylamino]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-aminoethylamino)butanamide
CID 62900229
ethyl 3-[3-(2-hydroxyethoxy)propylamino]butanoate
CID 106305458
2-[2-(3-hydroxypropylsulfanyl)ethylamino]butanamide
CID 106310237
methyl 3-[3-(2-hydroxyethoxy)propylamino]-2-methylbutanoate
CID 106305528
2-[4-(tetradecylamino)butylamino]butanamide
CID 175024981
ethyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-oxopentanoate
CID 82322171
N,N-diethyl-2-[3-(2-hydroxyethoxy)propylamino]propanamide
CID 114171795
2-(2-butoxyethylamino)butanoic acid
CID 64667576
methyl 2-[3-(cyclopropylmethoxy)propylamino]butanoate
CID 115352329
2-[2-(2-hydroxyethoxy)ethylamino]hexanoic acid
CID 103248959
2-(2-cyclobutylethylamino)butanamide
CID 115688602
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate
CID 58473820

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethoxy)propylamino]butanamide?
The IUPAC name of 2-[3-(2-hydroxyethoxy)propylamino]butanamide (CID 106309792) is 2-[3-(2-hydroxyethoxy)propylamino]butanamide.
What is the SMILES notation for 2-[3-(2-hydroxyethoxy)propylamino]butanamide?
The canonical SMILES for 2-[3-(2-hydroxyethoxy)propylamino]butanamide is CCC(NCCCOCCO)C(N)=O.
What is the InChIKey of 2-[3-(2-hydroxyethoxy)propylamino]butanamide?
The InChIKey is SMMQAVFMQGMPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-2-8(9(10)13)11-4-3-6-14-7-5-12/h8,11-12H,2-7H2,1H3,(H2,10,13).
What are the key properties of 2-[3-(2-hydroxyethoxy)propylamino]butanamide?
2-[3-(2-hydroxyethoxy)propylamino]butanamide has a molecular weight of 204.27 g/mol, XLogP of -0.76, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethoxy)propylamino]butanamide is sourced from PubChem (CID 106309792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).