3-amino-2-hydroxy-N-methyl-N-pentylpropanamide

C9H20N2O2 — CID 115180815

IUPAC3-amino-2-hydroxy-N-methyl-N-pentylpropanamide
SMILESCCCCCN(C)C(=O)C(O)CN
InChIInChI=1S/C9H20N2O2/c1-3-4-5-6-11(2)9(13)8(12)7-10/h8,12H,3-7,10H2,1-2H3
InChIKeyZVCUXXCIJBYNLM-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.05
Rot. Bonds6

About 3-amino-2-hydroxy-N-methyl-N-pentylpropanamide

3-amino-2-hydroxy-N-methyl-N-pentylpropanamide (PubChem CID 115180815) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N-methyl-N-pentylpropanamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-N-methyl-N-pentylpropanamide
PubChem CID115180815
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name3-amino-2-hydroxy-N-methyl-N-pentylpropanamide
SMILESCCCCCN(C)C(=O)C(O)CN
InChIInChI=1S/C9H20N2O2/c1-3-4-5-6-11(2)9(13)8(12)7-10/h8,12H,3-7,10H2,1-2H3
InChIKeyZVCUXXCIJBYNLM-UHFFFAOYSA-N
XLogP-0.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[dodecyl(methyl)amino]-3-hydroxy-4-oxobutanoic acid
CID 139889658
(2R,3S)-2,3-dihydroxy-N-methyl-N-pentylbutanamide
CID 143155247
acetyl 4-[dodecyl(methyl)amino]-3-hydroxy-4-oxobutanoate
CID 139889656
N,N'-diheptyl-2-methoxy-N,N'-dimethylpropanediamide
CID 614798
2-(aminomethyl)-N-butyl-N,4,4-trimethylpentanamide
CID 107470989
1-N,10-N-diheptyl-1-N,10-N-dimethyldecane-1,1,10,10-tetracarboxamide
CID 142691443
N-butyl-N,2-dimethylpropanamide
CID 21413636
2-amino-N-methyl-2-(4-methylphenyl)-N-pentylacetamide
CID 106312073
methyl 3-methyl-2-[methyl(pentyl)carbamoyl]butanoate
CID 115188093
3-methyl-4-[methyl(pentyl)amino]-4-oxobutanoic acid
CID 115164692
3-methyl-2-[methyl(pentyl)carbamoyl]butanoic acid
CID 115186289
2-amino-N-butyl-N-methylheptanamide;hydrochloride
CID 140973823

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N-methyl-N-pentylpropanamide?
The IUPAC name of 3-amino-2-hydroxy-N-methyl-N-pentylpropanamide (CID 115180815) is 3-amino-2-hydroxy-N-methyl-N-pentylpropanamide.
What is the SMILES notation for 3-amino-2-hydroxy-N-methyl-N-pentylpropanamide?
The canonical SMILES for 3-amino-2-hydroxy-N-methyl-N-pentylpropanamide is CCCCCN(C)C(=O)C(O)CN.
What is the InChIKey of 3-amino-2-hydroxy-N-methyl-N-pentylpropanamide?
The InChIKey is ZVCUXXCIJBYNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-3-4-5-6-11(2)9(13)8(12)7-10/h8,12H,3-7,10H2,1-2H3.
What are the key properties of 3-amino-2-hydroxy-N-methyl-N-pentylpropanamide?
3-amino-2-hydroxy-N-methyl-N-pentylpropanamide has a molecular weight of 188.27 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-N-methyl-N-pentylpropanamide is sourced from PubChem (CID 115180815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).