2-amino-3-hydroxy-2-methyl-N-(3-methyl-4-octoxyphenyl)propanamide

C19H32N2O3 — CID 69265813

IUPAC2-amino-3-hydroxy-2-methyl-N-(3-methyl-4-octoxyphenyl)propanamide
SMILESCCCCCCCCOc1ccc(NC(=O)C(C)(N)CO)cc1C
InChIInChI=1S/C19H32N2O3/c1-4-5-6-7-8-9-12-24-17-11-10-16(13-15(17)2)21-18(23)19(3,20)14-22/h10-11,13,22H,4-9,12,14,20H2,1-3H3,(H,21,23)
InChIKeyNBYYNLPQUZMMFP-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.38
Rot. Bonds11

About 2-amino-3-hydroxy-2-methyl-N-(3-methyl-4-octoxyphenyl)propanamide

2-amino-3-hydroxy-2-methyl-N-(3-methyl-4-octoxyphenyl)propanamide (PubChem CID 69265813) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-amino-3-hydroxy-2-methyl-N-(3-methyl-4-octoxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-2-methyl-N-(3-methyl-4-octoxyphenyl)propanamide
PubChem CID69265813
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name2-amino-3-hydroxy-2-methyl-N-(3-methyl-4-octoxyphenyl)propanamide
SMILESCCCCCCCCOc1ccc(NC(=O)C(C)(N)CO)cc1C
InChIInChI=1S/C19H32N2O3/c1-4-5-6-7-8-9-12-24-17-11-10-16(13-15(17)2)21-18(23)19(3,20)14-22/h10-11,13,22H,4-9,12,14,20H2,1-3H3,(H,21,23)
InChIKeyNBYYNLPQUZMMFP-UHFFFAOYSA-N
XLogP3.38
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-butoxy-3-methylphenyl)-2-methoxy-2-methylpentanamide
CID 133245973
(2S)-N-(4-ethoxy-3-methylphenyl)-2-methoxy-2-methylhexanamide
CID 100700557
2-amino-N-[4-(3-butoxyphenyl)phenyl]-3-hydroxy-2-methylpropanamide
CID 73021177
2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]-2-propoxyheptanamide
CID 133246325
N-(3-methyl-4-propoxyphenyl)propanamide
CID 130460979
N-(4-methoxy-3-methylphenyl)-2-methyl-2-propoxyheptanamide
CID 133246319
2-amino-N-(3,4-dipropoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119265988
(2R)-2-ethoxy-2,4-dimethyl-N-(3-methyl-4-propoxyphenyl)pentanamide
CID 100723719
2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide
CID 100689633
2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide
CID 61266597
2-cyano-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide
CID 47416651
2-amino-2-ethyl-4-(4-heptoxy-3-methylphenyl)butan-1-ol
CID 71070887

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-2-methyl-N-(3-methyl-4-octoxyphenyl)propanamide?
The IUPAC name of 2-amino-3-hydroxy-2-methyl-N-(3-methyl-4-octoxyphenyl)propanamide (CID 69265813) is 2-amino-3-hydroxy-2-methyl-N-(3-methyl-4-octoxyphenyl)propanamide.
What is the SMILES notation for 2-amino-3-hydroxy-2-methyl-N-(3-methyl-4-octoxyphenyl)propanamide?
The canonical SMILES for 2-amino-3-hydroxy-2-methyl-N-(3-methyl-4-octoxyphenyl)propanamide is CCCCCCCCOc1ccc(NC(=O)C(C)(N)CO)cc1C.
What is the InChIKey of 2-amino-3-hydroxy-2-methyl-N-(3-methyl-4-octoxyphenyl)propanamide?
The InChIKey is NBYYNLPQUZMMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-4-5-6-7-8-9-12-24-17-11-10-16(13-15(17)2)21-18(23)19(3,20)14-22/h10-11,13,22H,4-9,12,14,20H2,1-3H3,(H,21,23).
What are the key properties of 2-amino-3-hydroxy-2-methyl-N-(3-methyl-4-octoxyphenyl)propanamide?
2-amino-3-hydroxy-2-methyl-N-(3-methyl-4-octoxyphenyl)propanamide has a molecular weight of 336.48 g/mol, XLogP of 3.38, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-2-methyl-N-(3-methyl-4-octoxyphenyl)propanamide is sourced from PubChem (CID 69265813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).