N-(ethylcarbamoyl)-2-(3-hydroxybutylamino)propanamide

C10H21N3O3 — CID 64913519

IUPACN-(ethylcarbamoyl)-2-(3-hydroxybutylamino)propanamide
SMILESCCNC(=O)NC(=O)C(C)NCCC(C)O
InChIInChI=1S/C10H21N3O3/c1-4-11-10(16)13-9(15)8(3)12-6-5-7(2)14/h7-8,12,14H,4-6H2,1-3H3,(H2,11,13,15,16)
InChIKeySTUOGJJIAVQPML-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.42
Rot. Bonds6

About N-(ethylcarbamoyl)-2-(3-hydroxybutylamino)propanamide

N-(ethylcarbamoyl)-2-(3-hydroxybutylamino)propanamide (PubChem CID 64913519) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-(3-hydroxybutylamino)propanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-(3-hydroxybutylamino)propanamide
PubChem CID64913519
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC NameN-(ethylcarbamoyl)-2-(3-hydroxybutylamino)propanamide
SMILESCCNC(=O)NC(=O)C(C)NCCC(C)O
InChIInChI=1S/C10H21N3O3/c1-4-11-10(16)13-9(15)8(3)12-6-5-7(2)14/h7-8,12,14H,4-6H2,1-3H3,(H2,11,13,15,16)
InChIKeySTUOGJJIAVQPML-UHFFFAOYSA-N
XLogP-0.42
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(ethylcarbamoyl)-2-(2-hydroxyethylamino)propanamide
CID 43389341
3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 43466733
2-(3-hydroxybutylamino)-N-propylpropanamide
CID 64913708
2-[2-(diethylamino)ethylamino]-N-(ethylcarbamoyl)propanamide
CID 43083312
2-(2,3-dihydroxypropylamino)-N-(ethylcarbamoyl)propanamide
CID 66171216
N-(ethylcarbamoyl)-2-[(3-hydroxy-2-methylpropyl)amino]propanamide
CID 65036025
2-(3-hydroxybutylamino)-N-(2-methoxyethyl)propanamide
CID 64913516
N-(ethylcarbamoyl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanamide
CID 55127056
N-(ethylcarbamoyl)-2-(2-pyridin-4-ylethylamino)propanamide
CID 60902698
N-(ethylcarbamoyl)-2-[(1-methylcyclopropyl)methylamino]propanamide
CID 103724729
2-(3-methylbutylamino)-N-(methylcarbamoyl)propanamide
CID 43084446
N-(ethylcarbamoyl)-2-(2-phenylsulfanylethylamino)propanamide
CID 60673400

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-(3-hydroxybutylamino)propanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-(3-hydroxybutylamino)propanamide (CID 64913519) is N-(ethylcarbamoyl)-2-(3-hydroxybutylamino)propanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-(3-hydroxybutylamino)propanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-(3-hydroxybutylamino)propanamide is CCNC(=O)NC(=O)C(C)NCCC(C)O.
What is the InChIKey of N-(ethylcarbamoyl)-2-(3-hydroxybutylamino)propanamide?
The InChIKey is STUOGJJIAVQPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-4-11-10(16)13-9(15)8(3)12-6-5-7(2)14/h7-8,12,14H,4-6H2,1-3H3,(H2,11,13,15,16).
What are the key properties of N-(ethylcarbamoyl)-2-(3-hydroxybutylamino)propanamide?
N-(ethylcarbamoyl)-2-(3-hydroxybutylamino)propanamide has a molecular weight of 231.30 g/mol, XLogP of -0.42, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-(3-hydroxybutylamino)propanamide is sourced from PubChem (CID 64913519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).