N-[(5-amino-2-hydroxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]pentanamide

C16H27N3O2 — CID 139363210

IUPACN-[(5-amino-2-hydroxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]pentanamide
SMILESCCCCC(=O)N(CCN(C)C)Cc1cc(N)ccc1O
InChIInChI=1S/C16H27N3O2/c1-4-5-6-16(21)19(10-9-18(2)3)12-13-11-14(17)7-8-15(13)20/h7-8,11,20H,4-6,9-10,12,17H2,1-3H3
InChIKeyOLEYDHPKDUMYIM-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.05
Rot. Bonds8

About N-[(5-amino-2-hydroxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]pentanamide

N-[(5-amino-2-hydroxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]pentanamide (PubChem CID 139363210) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(5-amino-2-hydroxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]pentanamide.

Molecular Properties

Compound NameN-[(5-amino-2-hydroxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]pentanamide
PubChem CID139363210
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[(5-amino-2-hydroxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]pentanamide
SMILESCCCCC(=O)N(CCN(C)C)Cc1cc(N)ccc1O
InChIInChI=1S/C16H27N3O2/c1-4-5-6-16(21)19(10-9-18(2)3)12-13-11-14(17)7-8-15(13)20/h7-8,11,20H,4-6,9-10,12,17H2,1-3H3
InChIKeyOLEYDHPKDUMYIM-UHFFFAOYSA-N
XLogP2.05
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminophenyl)methyl]-N-propylpentanamide
CID 43383967
2-[(5-amino-2-hydroxyphenyl)methyl-[2-[(5-amino-2-hydroxyphenyl)methyl-(carboxymethyl)amino]ethyl]amino]acetic acid
CID 19704517
4-amino-2-[[3-(diethylamino)propyl-ethylamino]methyl]phenol
CID 102991610
N-[(5-amino-2-hydroxyphenyl)methyl]octanamide
CID 43548602
4-amino-2-[[2-(dimethylamino)ethylamino]methyl]phenol
CID 153328752
N-[(3-aminophenyl)methyl]-N-ethylhexanamide
CID 43383879
ethyl 3-(5-amino-2-hydroxyphenyl)propanoate
CID 3847295
N-[(2-aminophenyl)methyl]-N-ethylheptanamide
CID 114751955
N-(3-amino-3-sulfanylidenepropyl)-N-benzylpentanamide
CID 82103781
N-benzyl-N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79200837
5-amino-2-[methyl(octanoyl)amino]benzoic acid
CID 63116658
4-amino-2-[(N-ethoxyanilino)methyl]phenol
CID 175240764

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]pentanamide?
The IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]pentanamide (CID 139363210) is N-[(5-amino-2-hydroxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]pentanamide.
What is the SMILES notation for N-[(5-amino-2-hydroxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]pentanamide?
The canonical SMILES for N-[(5-amino-2-hydroxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]pentanamide is CCCCC(=O)N(CCN(C)C)Cc1cc(N)ccc1O.
What is the InChIKey of N-[(5-amino-2-hydroxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]pentanamide?
The InChIKey is OLEYDHPKDUMYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-5-6-16(21)19(10-9-18(2)3)12-13-11-14(17)7-8-15(13)20/h7-8,11,20H,4-6,9-10,12,17H2,1-3H3.
What are the key properties of N-[(5-amino-2-hydroxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]pentanamide?
N-[(5-amino-2-hydroxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]pentanamide has a molecular weight of 293.41 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-hydroxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]pentanamide is sourced from PubChem (CID 139363210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).