2-[1-hydroxypropan-2-yl(methyl)amino]-N-(methylcarbamoyl)propanamide

C9H19N3O3 — CID 104554164

IUPAC2-[1-hydroxypropan-2-yl(methyl)amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N(C)C(C)CO
InChIInChI=1S/C9H19N3O3/c1-6(5-13)12(4)7(2)8(14)11-9(15)10-3/h6-7,13H,5H2,1-4H3,(H2,10,11,14,15)
InChIKeyMJCBPZUKEGRQAF-UHFFFAOYSA-N
MW217.27 g/mol
LogP-0.86
Rot. Bonds4

About 2-[1-hydroxypropan-2-yl(methyl)amino]-N-(methylcarbamoyl)propanamide

2-[1-hydroxypropan-2-yl(methyl)amino]-N-(methylcarbamoyl)propanamide (PubChem CID 104554164) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[1-hydroxypropan-2-yl(methyl)amino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[1-hydroxypropan-2-yl(methyl)amino]-N-(methylcarbamoyl)propanamide
PubChem CID104554164
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name2-[1-hydroxypropan-2-yl(methyl)amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N(C)C(C)CO
InChIInChI=1S/C9H19N3O3/c1-6(5-13)12(4)7(2)8(14)11-9(15)10-3/h6-7,13H,5H2,1-4H3,(H2,10,11,14,15)
InChIKeyMJCBPZUKEGRQAF-UHFFFAOYSA-N
XLogP-0.86
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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

2-[ethyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide
CID 60685692
(2S)-2-[acetyl(methyl)amino]-N-(methylcarbamoyl)propanamide
CID 122467125
N-cyclopropyl-2-[1-hydroxypropan-2-yl(methyl)amino]propanamide
CID 104554062
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(methylcarbamoyl)propanamide
CID 116652580
3-[methyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 60987240
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(methylcarbamoyl)propanamide
CID 79389621
(2S)-2-[(4-ethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 8907646
methyl 2-[ethyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate
CID 62011390
2-[ethyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid
CID 62820971
2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylpropanamide
CID 113426304
2-[cyclobutyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide
CID 102870196
(2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 9024362

Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxypropan-2-yl(methyl)amino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[1-hydroxypropan-2-yl(methyl)amino]-N-(methylcarbamoyl)propanamide (CID 104554164) is 2-[1-hydroxypropan-2-yl(methyl)amino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[1-hydroxypropan-2-yl(methyl)amino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[1-hydroxypropan-2-yl(methyl)amino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)N(C)C(C)CO.
What is the InChIKey of 2-[1-hydroxypropan-2-yl(methyl)amino]-N-(methylcarbamoyl)propanamide?
The InChIKey is MJCBPZUKEGRQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-6(5-13)12(4)7(2)8(14)11-9(15)10-3/h6-7,13H,5H2,1-4H3,(H2,10,11,14,15).
What are the key properties of 2-[1-hydroxypropan-2-yl(methyl)amino]-N-(methylcarbamoyl)propanamide?
2-[1-hydroxypropan-2-yl(methyl)amino]-N-(methylcarbamoyl)propanamide has a molecular weight of 217.27 g/mol, XLogP of -0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxypropan-2-yl(methyl)amino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 104554164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).