2-[ethyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide

C9H19N3O3 — CID 60685692

IUPAC2-[ethyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide
SMILESCCN(CCO)C(C)C(=O)NC(=O)NC
InChIInChI=1S/C9H19N3O3/c1-4-12(5-6-13)7(2)8(14)11-9(15)10-3/h7,13H,4-6H2,1-3H3,(H2,10,11,14,15)
InChIKeyQUMSFWZXBKYTRU-UHFFFAOYSA-N
MW217.27 g/mol
LogP-0.86
Rot. Bonds5

About 2-[ethyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide

2-[ethyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide (PubChem CID 60685692) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[ethyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide
PubChem CID60685692
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name2-[ethyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide
SMILESCCN(CCO)C(C)C(=O)NC(=O)NC
InChIInChI=1S/C9H19N3O3/c1-4-12(5-6-13)7(2)8(14)11-9(15)10-3/h7,13H,4-6H2,1-3H3,(H2,10,11,14,15)
InChIKeyQUMSFWZXBKYTRU-UHFFFAOYSA-N
XLogP-0.86
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[ethyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate
CID 62011390
2-[ethyl(2-hydroxyethyl)amino]-N-pentan-3-ylpropanamide
CID 62020833
2-[ethyl(2-hydroxyethyl)amino]-N-(2-methylpropyl)propanamide
CID 60686188
2-[cyclobutyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide
CID 102870196
2-[1-hydroxypropan-2-yl(methyl)amino]-N-(methylcarbamoyl)propanamide
CID 104554164
2-[ethyl(2-hydroxyethyl)amino]-N,N-dimethylpropanamide
CID 60686110
(2S)-2-[acetyl(methyl)amino]-N-(methylcarbamoyl)propanamide
CID 122467125
2-[(2-aminophenyl)methyl-propylamino]-N-(methylcarbamoyl)propanamide
CID 43459973
2-[3-aminopropyl(ethyl)amino]-N-(ethylcarbamoyl)propanamide
CID 43137250
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(methylcarbamoyl)propanamide
CID 107494561
3-[methyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 60987240
2-[ethyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid
CID 62820971

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide (CID 60685692) is 2-[ethyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[ethyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[ethyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide is CCN(CCO)C(C)C(=O)NC(=O)NC.
What is the InChIKey of 2-[ethyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide?
The InChIKey is QUMSFWZXBKYTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-4-12(5-6-13)7(2)8(14)11-9(15)10-3/h7,13H,4-6H2,1-3H3,(H2,10,11,14,15).
What are the key properties of 2-[ethyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide?
2-[ethyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide has a molecular weight of 217.27 g/mol, XLogP of -0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 60685692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).