5-amino-N-(4-hydroxyphenyl)-N-methylpentanamide

C12H18N2O2 — CID 107734249

IUPAC5-amino-N-(4-hydroxyphenyl)-N-methylpentanamide
SMILESCN(C(=O)CCCCN)c1ccc(O)cc1
InChIInChI=1S/C12H18N2O2/c1-14(12(16)4-2-3-9-13)10-5-7-11(15)8-6-10/h5-8,15H,2-4,9,13H2,1H3
InChIKeyNCVYXQKHBMMXGI-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.48
Rot. Bonds5

About 5-amino-N-(4-hydroxyphenyl)-N-methylpentanamide

5-amino-N-(4-hydroxyphenyl)-N-methylpentanamide (PubChem CID 107734249) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-amino-N-(4-hydroxyphenyl)-N-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(4-hydroxyphenyl)-N-methylpentanamide
PubChem CID107734249
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name5-amino-N-(4-hydroxyphenyl)-N-methylpentanamide
SMILESCN(C(=O)CCCCN)c1ccc(O)cc1
InChIInChI=1S/C12H18N2O2/c1-14(12(16)4-2-3-9-13)10-5-7-11(15)8-6-10/h5-8,15H,2-4,9,13H2,1H3
InChIKeyNCVYXQKHBMMXGI-UHFFFAOYSA-N
XLogP1.48
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.48
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

7-amino-N-(4-fluorophenyl)-N-methylheptanamide
CID 119729880
4-[5-aminopentanoyl(methyl)amino]benzoic acid
CID 104698737
7-amino-N-methyl-N-(4-propan-2-ylphenyl)heptanamide
CID 119807713
5-(dimethylamino)-N,N-bis(4-hydroxyphenyl)pentanamide
CID 54209709
N-(4-hydroxyphenyl)-N-methyl-3-propoxypropanamide
CID 62716161
N-(4-hydroxyphenyl)-N-methyl-2-(methylamino)acetamide
CID 103606278
6-amino-N-(3-cyanophenyl)-N-methylhexanamide
CID 62983019
3-(3-aminophenyl)-N-(4-hydroxyphenyl)-N-methylpropanamide
CID 107732992
N-(4-carbamothioylphenyl)-N-methyloctanamide
CID 62971888
N-methyl-N-phenylnonanamide
CID 54136731
4-chloro-N-methyl-N-(4-methylphenyl)butanamide
CID 63308688
N-(4-hydroxyphenyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide
CID 21295614

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-hydroxyphenyl)-N-methylpentanamide?
The IUPAC name of 5-amino-N-(4-hydroxyphenyl)-N-methylpentanamide (CID 107734249) is 5-amino-N-(4-hydroxyphenyl)-N-methylpentanamide.
What is the SMILES notation for 5-amino-N-(4-hydroxyphenyl)-N-methylpentanamide?
The canonical SMILES for 5-amino-N-(4-hydroxyphenyl)-N-methylpentanamide is CN(C(=O)CCCCN)c1ccc(O)cc1.
What is the InChIKey of 5-amino-N-(4-hydroxyphenyl)-N-methylpentanamide?
The InChIKey is NCVYXQKHBMMXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14(12(16)4-2-3-9-13)10-5-7-11(15)8-6-10/h5-8,15H,2-4,9,13H2,1H3.
What are the key properties of 5-amino-N-(4-hydroxyphenyl)-N-methylpentanamide?
5-amino-N-(4-hydroxyphenyl)-N-methylpentanamide has a molecular weight of 222.29 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-hydroxyphenyl)-N-methylpentanamide is sourced from PubChem (CID 107734249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).