N-[(2-hydroxyphenyl)methyl]-2-(propylamino)acetamide

C12H18N2O2 — CID 114332282

IUPACN-[(2-hydroxyphenyl)methyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)NCc1ccccc1O
InChIInChI=1S/C12H18N2O2/c1-2-7-13-9-12(16)14-8-10-5-3-4-6-11(10)15/h3-6,13,15H,2,7-9H2,1H3,(H,14,16)
InChIKeyPATUZUOUBVQFJC-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.01
Rot. Bonds6

About N-[(2-hydroxyphenyl)methyl]-2-(propylamino)acetamide

N-[(2-hydroxyphenyl)methyl]-2-(propylamino)acetamide (PubChem CID 114332282) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]-2-(propylamino)acetamide
PubChem CID114332282
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[(2-hydroxyphenyl)methyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)NCc1ccccc1O
InChIInChI=1S/C12H18N2O2/c1-2-7-13-9-12(16)14-8-10-5-3-4-6-11(10)15/h3-6,13,15H,2,7-9H2,1H3,(H,14,16)
InChIKeyPATUZUOUBVQFJC-UHFFFAOYSA-N
XLogP1.01
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylethyl)-2-(propylamino)acetamide
CID 54818782
N-[(2-hydroxyphenyl)methyl]octadecanamide
CID 154122787
2-[2-(2-methylphenyl)ethylamino]-N-propylacetamide
CID 112722399
2-anilino-N-[(2-hydroxyphenyl)methyl]acetamide
CID 114332305
N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996489
2-(ethylamino)-N-(naphthalen-1-ylmethyl)acetamide
CID 55068383
1-butyl-3-[(2-hydroxyphenyl)methyl]urea
CID 115598931
2-(propylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896058
2-(propylamino)-N-[2-[[2-(propylamino)acetyl]amino]phenyl]acetamide;hydrochloride
CID 54601113
N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)acetamide
CID 63306613
2-naphthalen-1-yl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]acetamide
CID 9163230
N-[(2-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673533

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]-2-(propylamino)acetamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]-2-(propylamino)acetamide (CID 114332282) is N-[(2-hydroxyphenyl)methyl]-2-(propylamino)acetamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]-2-(propylamino)acetamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]-2-(propylamino)acetamide is CCCNCC(=O)NCc1ccccc1O.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]-2-(propylamino)acetamide?
The InChIKey is PATUZUOUBVQFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-7-13-9-12(16)14-8-10-5-3-4-6-11(10)15/h3-6,13,15H,2,7-9H2,1H3,(H,14,16).
What are the key properties of N-[(2-hydroxyphenyl)methyl]-2-(propylamino)acetamide?
N-[(2-hydroxyphenyl)methyl]-2-(propylamino)acetamide has a molecular weight of 222.29 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]-2-(propylamino)acetamide is sourced from PubChem (CID 114332282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).