(2R,3S)-2,3-dihydroxy-N-methyl-N-pentylbutanamide

C10H21NO3 — CID 143155247

IUPAC(2R,3S)-2,3-dihydroxy-N-methyl-N-pentylbutanamide
SMILESCCCCCN(C)C(=O)[C@H](O)[C@H](C)O
InChIInChI=1S/C10H21NO3/c1-4-5-6-7-11(3)10(14)9(13)8(2)12/h8-9,12-13H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKeyMDHDKFIONZYQDH-DTWKUNHWSA-N
MW203.28 g/mol
LogP0.38
Rot. Bonds6

About (2R,3S)-2,3-dihydroxy-N-methyl-N-pentylbutanamide

(2R,3S)-2,3-dihydroxy-N-methyl-N-pentylbutanamide (PubChem CID 143155247) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is (2R,3S)-2,3-dihydroxy-N-methyl-N-pentylbutanamide.

Molecular Properties

Compound Name(2R,3S)-2,3-dihydroxy-N-methyl-N-pentylbutanamide
PubChem CID143155247
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(2R,3S)-2,3-dihydroxy-N-methyl-N-pentylbutanamide
SMILESCCCCCN(C)C(=O)[C@H](O)[C@H](C)O
InChIInChI=1S/C10H21NO3/c1-4-5-6-7-11(3)10(14)9(13)8(2)12/h8-9,12-13H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKeyMDHDKFIONZYQDH-DTWKUNHWSA-N
XLogP0.38
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.38
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

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-methyl-N-octadecylhexanamide
CID 15143245
3-amino-2-hydroxy-N-methyl-N-pentylpropanamide
CID 115180815
N-butyl-N,2-dimethylpropanamide
CID 21413636
3-methyl-4-[methyl(pentyl)amino]-4-oxobutanoic acid
CID 115164692
3-methyl-2-[methyl(pentyl)carbamoyl]butanoic acid
CID 115186289
N-hexyl-N',2-dimethyl-N,N'-dioctylpropanediamide
CID 87219265
N,2-dimethyl-3-(methylamino)-N-pentylpropanamide
CID 79195913
4-[dodecyl(methyl)amino]-3-hydroxy-4-oxobutanoic acid
CID 139889658
N,N'-diheptyl-2-methoxy-N,N'-dimethylpropanediamide
CID 614798
methyl 3-methyl-2-[methyl(pentyl)carbamoyl]butanoate
CID 115188093
N-methyl-N-pentyl-2-phenylpropanamide
CID 90809964
N,N'-dibutyl-N,N'-dimethyl-2-tetradecylpropanediamide
CID 14944519

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-dihydroxy-N-methyl-N-pentylbutanamide?
The IUPAC name of (2R,3S)-2,3-dihydroxy-N-methyl-N-pentylbutanamide (CID 143155247) is (2R,3S)-2,3-dihydroxy-N-methyl-N-pentylbutanamide.
What is the SMILES notation for (2R,3S)-2,3-dihydroxy-N-methyl-N-pentylbutanamide?
The canonical SMILES for (2R,3S)-2,3-dihydroxy-N-methyl-N-pentylbutanamide is CCCCCN(C)C(=O)[C@H](O)[C@H](C)O.
What is the InChIKey of (2R,3S)-2,3-dihydroxy-N-methyl-N-pentylbutanamide?
The InChIKey is MDHDKFIONZYQDH-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H21NO3/c1-4-5-6-7-11(3)10(14)9(13)8(2)12/h8-9,12-13H,4-7H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of (2R,3S)-2,3-dihydroxy-N-methyl-N-pentylbutanamide?
(2R,3S)-2,3-dihydroxy-N-methyl-N-pentylbutanamide has a molecular weight of 203.28 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-dihydroxy-N-methyl-N-pentylbutanamide is sourced from PubChem (CID 143155247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).