N-ethyl-2-(3-hydroxypropylamino)propanamide

C8H18N2O2 — CID 43392791

IUPACN-ethyl-2-(3-hydroxypropylamino)propanamide
SMILESCCNC(=O)C(C)NCCCO
InChIInChI=1S/C8H18N2O2/c1-3-9-8(12)7(2)10-5-4-6-11/h7,10-11H,3-6H2,1-2H3,(H,9,12)
InChIKeyUAUYMTNJDPEKIT-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.52
Rot. Bonds6

About N-ethyl-2-(3-hydroxypropylamino)propanamide

N-ethyl-2-(3-hydroxypropylamino)propanamide (PubChem CID 43392791) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is N-ethyl-2-(3-hydroxypropylamino)propanamide.

Molecular Properties

Compound NameN-ethyl-2-(3-hydroxypropylamino)propanamide
PubChem CID43392791
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC NameN-ethyl-2-(3-hydroxypropylamino)propanamide
SMILESCCNC(=O)C(C)NCCCO
InChIInChI=1S/C8H18N2O2/c1-3-9-8(12)7(2)10-5-4-6-11/h7,10-11H,3-6H2,1-2H3,(H,9,12)
InChIKeyUAUYMTNJDPEKIT-UHFFFAOYSA-N
XLogP-0.52
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-carbamoyl-2-(3-hydroxypropylamino)propanamide
CID 43392786
N-ethyl-2-(2-methylsulfanylethylamino)propanamide
CID 60672762
2-(3-hydroxypropylamino)-N-(2-methylbutan-2-yl)propanamide
CID 43416442
N-(ethylcarbamoyl)-2-(2-hydroxyethylamino)propanamide
CID 43389341
2-(3-hydroxypropylamino)propanamide
CID 43392787
2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl carbamate
CID 83210549
N-ethyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 43401396
2-(butylamino)-N-(3-methylbutyl)propanamide
CID 43112967
2-(2,3-dimethylbutylamino)-N-ethylpropanamide
CID 64571125
2-[[1-(butylamino)-1-oxopropan-2-yl]amino]-N-ethylpropanamide
CID 60722434
N-ethyl-2-(prop-2-ynylamino)propanamide
CID 43086396
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(propan-2-ylamino)butanamide
CID 60850068

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-hydroxypropylamino)propanamide?
The IUPAC name of N-ethyl-2-(3-hydroxypropylamino)propanamide (CID 43392791) is N-ethyl-2-(3-hydroxypropylamino)propanamide.
What is the SMILES notation for N-ethyl-2-(3-hydroxypropylamino)propanamide?
The canonical SMILES for N-ethyl-2-(3-hydroxypropylamino)propanamide is CCNC(=O)C(C)NCCCO.
What is the InChIKey of N-ethyl-2-(3-hydroxypropylamino)propanamide?
The InChIKey is UAUYMTNJDPEKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-3-9-8(12)7(2)10-5-4-6-11/h7,10-11H,3-6H2,1-2H3,(H,9,12).
What are the key properties of N-ethyl-2-(3-hydroxypropylamino)propanamide?
N-ethyl-2-(3-hydroxypropylamino)propanamide has a molecular weight of 174.24 g/mol, XLogP of -0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-hydroxypropylamino)propanamide is sourced from PubChem (CID 43392791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).