2-amino-N-[2-hydroxy-5-[(2S)-2,4,5,5-tetramethylhexyl]phenyl]propanamide

C19H32N2O2 — CID 163510754

IUPAC2-amino-N-[2-hydroxy-5-[(2S)-2,4,5,5-tetramethylhexyl]phenyl]propanamide
SMILESCC(N)C(=O)Nc1cc(C[C@@H](C)CC(C)C(C)(C)C)ccc1O
InChIInChI=1S/C19H32N2O2/c1-12(9-13(2)19(4,5)6)10-15-7-8-17(22)16(11-15)21-18(23)14(3)20/h7-8,11-14,22H,9-10,20H2,1-6H3,(H,21,23)/t12-,13?,14?/m0/s1
InChIKeyDBMGDTMVTPPASP-HSBZDZAISA-N
MW320.48 g/mol
LogP3.93
Rot. Bonds6

About 2-amino-N-[2-hydroxy-5-[(2S)-2,4,5,5-tetramethylhexyl]phenyl]propanamide

2-amino-N-[2-hydroxy-5-[(2S)-2,4,5,5-tetramethylhexyl]phenyl]propanamide (PubChem CID 163510754) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-amino-N-[2-hydroxy-5-[(2S)-2,4,5,5-tetramethylhexyl]phenyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[2-hydroxy-5-[(2S)-2,4,5,5-tetramethylhexyl]phenyl]propanamide
PubChem CID163510754
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name2-amino-N-[2-hydroxy-5-[(2S)-2,4,5,5-tetramethylhexyl]phenyl]propanamide
SMILESCC(N)C(=O)Nc1cc(C[C@@H](C)CC(C)C(C)(C)C)ccc1O
InChIInChI=1S/C19H32N2O2/c1-12(9-13(2)19(4,5)6)10-15-7-8-17(22)16(11-15)21-18(23)14(3)20/h7-8,11-14,22H,9-10,20H2,1-6H3,(H,21,23)/t12-,13?,14?/m0/s1
InChIKeyDBMGDTMVTPPASP-HSBZDZAISA-N
XLogP3.93
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-[(2R)-2,4,5,5-tetramethylhexyl]phenol;carbon dioxide
CID 158506742
tert-butyl (4R)-5-[3-(2-aminopropanoylamino)-4-hydroxyphenyl]-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 135352913
2-amino-N-(2-hydroxy-5-methylphenyl)propanamide;hydrochloride
CID 159728581
(2S)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]propanamide
CID 81196961
5-[3-[2-(2-aminopropanoylamino)propanoylamino]-4-hydroxyphenyl]-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 174983900
(2S,4R)-4-amino-5-[4-hydroxy-3-[[(2S)-2-[[(2S)-2-(propanoylamino)propanoyl]amino]propanoyl]amino]phenyl]-2-methylpentanoic acid
CID 146638042
tert-butyl N-[(2R)-1-[3-[(2-amino-3-methylbutanoyl)amino]-4-hydroxyphenyl]-4,5,5-trimethylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-[4-hydroxy-3-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]phenyl]-4,5,5-trimethylhexan-2-yl]carbamate;bis(carbon dioxide);methanol
CID 162098341
[4-hydroxy-3-(2-methylpropanoylamino)phenyl]methyl acetate
CID 158747785
1-tert-butyl-4-(2,4,5,5-tetramethylhexyl)benzene
CID 57303246
(2R)-2-amino-N-(2-hydroxy-4-methylphenyl)propanamide
CID 127013339
(2R)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 103930266
2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]propanamide
CID 83624402

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-hydroxy-5-[(2S)-2,4,5,5-tetramethylhexyl]phenyl]propanamide?
The IUPAC name of 2-amino-N-[2-hydroxy-5-[(2S)-2,4,5,5-tetramethylhexyl]phenyl]propanamide (CID 163510754) is 2-amino-N-[2-hydroxy-5-[(2S)-2,4,5,5-tetramethylhexyl]phenyl]propanamide.
What is the SMILES notation for 2-amino-N-[2-hydroxy-5-[(2S)-2,4,5,5-tetramethylhexyl]phenyl]propanamide?
The canonical SMILES for 2-amino-N-[2-hydroxy-5-[(2S)-2,4,5,5-tetramethylhexyl]phenyl]propanamide is CC(N)C(=O)Nc1cc(C[C@@H](C)CC(C)C(C)(C)C)ccc1O.
What is the InChIKey of 2-amino-N-[2-hydroxy-5-[(2S)-2,4,5,5-tetramethylhexyl]phenyl]propanamide?
The InChIKey is DBMGDTMVTPPASP-HSBZDZAISA-N. The full InChI is InChI=1S/C19H32N2O2/c1-12(9-13(2)19(4,5)6)10-15-7-8-17(22)16(11-15)21-18(23)14(3)20/h7-8,11-14,22H,9-10,20H2,1-6H3,(H,21,23)/t12-,13?,14?/m0/s1.
What are the key properties of 2-amino-N-[2-hydroxy-5-[(2S)-2,4,5,5-tetramethylhexyl]phenyl]propanamide?
2-amino-N-[2-hydroxy-5-[(2S)-2,4,5,5-tetramethylhexyl]phenyl]propanamide has a molecular weight of 320.48 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-hydroxy-5-[(2S)-2,4,5,5-tetramethylhexyl]phenyl]propanamide is sourced from PubChem (CID 163510754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).