2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(methylcarbamoyl)propanamide

C11H23N3O3 — CID 106175369

IUPAC2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(methylcarbamoyl)propanamide
SMILESCCC(C)(CCO)NC(C)C(=O)NC(=O)NC
InChIInChI=1S/C11H23N3O3/c1-5-11(3,6-7-15)14-8(2)9(16)13-10(17)12-4/h8,14-15H,5-7H2,1-4H3,(H2,12,13,16,17)
InChIKeyCVPDJEMNOPYAMY-UHFFFAOYSA-N
MW245.32 g/mol
LogP-0.03
Rot. Bonds6

About 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(methylcarbamoyl)propanamide

2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(methylcarbamoyl)propanamide (PubChem CID 106175369) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(methylcarbamoyl)propanamide
PubChem CID106175369
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(methylcarbamoyl)propanamide
SMILESCCC(C)(CCO)NC(C)C(=O)NC(=O)NC
InChIInChI=1S/C11H23N3O3/c1-5-11(3,6-7-15)14-8(2)9(16)13-10(17)12-4/h8,14-15H,5-7H2,1-4H3,(H2,12,13,16,17)
InChIKeyCVPDJEMNOPYAMY-UHFFFAOYSA-N
XLogP-0.03
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-hydroxy-3-methylpentan-3-yl)-3-methylurea
CID 103819942
3-methyl-3-(propan-2-ylamino)pentan-1-ol
CID 115921099
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114154103
2-(3-methylpentan-3-ylamino)propanoic acid
CID 103829131
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 114154119
N-ethyl-2-[(1-hydroxy-2-methylbutan-2-yl)amino]propanamide
CID 64550594
2-(3-methylpentan-3-ylamino)-N-pentan-2-ylpropanamide
CID 106328554
2-[ethyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide
CID 60685692
2-(6-hydroxyhexylamino)-N-(methylcarbamoyl)propanamide
CID 107851798
2-[ethyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid
CID 62820971
2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-methylpentanamide
CID 106176135
N,2,4,4-tetramethylhexanamide
CID 177059131

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(methylcarbamoyl)propanamide (CID 106175369) is 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(methylcarbamoyl)propanamide is CCC(C)(CCO)NC(C)C(=O)NC(=O)NC.
What is the InChIKey of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(methylcarbamoyl)propanamide?
The InChIKey is CVPDJEMNOPYAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-5-11(3,6-7-15)14-8(2)9(16)13-10(17)12-4/h8,14-15H,5-7H2,1-4H3,(H2,12,13,16,17).
What are the key properties of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(methylcarbamoyl)propanamide?
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(methylcarbamoyl)propanamide has a molecular weight of 245.32 g/mol, XLogP of -0.03, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 106175369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).