6-amino-N-[4-[2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]hexanamide

C20H32N2O5 — CID 169106484

IUPAC6-amino-N-[4-[2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]hexanamide
SMILESNCCCCCC(=O)Nc1ccc(CCOC2CC(O)CC(CO)O2)cc1
InChIInChI=1S/C20H32N2O5/c21-10-3-1-2-4-19(25)22-16-7-5-15(6-8-16)9-11-26-20-13-17(24)12-18(14-23)27-20/h5-8,17-18,20,23-24H,1-4,9-14,21H2,(H,22,25)
InChIKeyGDZAQKVFIMGOPZ-UHFFFAOYSA-N
MW380.49 g/mol
LogP1.56
Rot. Bonds11

About 6-amino-N-[4-[2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]hexanamide

6-amino-N-[4-[2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]hexanamide (PubChem CID 169106484) has the molecular formula C20H32N2O5 and a molecular weight of 380.49 g/mol. Its IUPAC name is 6-amino-N-[4-[2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[4-[2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]hexanamide
PubChem CID169106484
Molecular FormulaC20H32N2O5
Molecular Weight380.49 g/mol
Exact Mass380.23
IUPAC Name6-amino-N-[4-[2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]hexanamide
SMILESNCCCCCC(=O)Nc1ccc(CCOC2CC(O)CC(CO)O2)cc1
InChIInChI=1S/C20H32N2O5/c21-10-3-1-2-4-19(25)22-16-7-5-15(6-8-16)9-11-26-20-13-17(24)12-18(14-23)27-20/h5-8,17-18,20,23-24H,1-4,9-14,21H2,(H,22,25)
InChIKeyGDZAQKVFIMGOPZ-UHFFFAOYSA-N
XLogP1.56
TPSA114.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-amino-N-[4-[2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]hexanamide with MolForge

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Related Compounds

6-amino-N-(4-pentylphenyl)hexanamide
CID 61248961
7-amino-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]heptanamide
CID 119862086
12-amino-N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]dodecanamide
CID 71562300
6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108
N-[4-(6-aminohexanoylamino)phenyl]cyclopropanecarboxamide
CID 61254205
6-amino-N-(4-cyclopentyloxyphenyl)hexanamide
CID 43706244
7-amino-N-[4-[(carbamoylamino)methyl]phenyl]heptanamide;hydrochloride
CID 119757592
4-(6-aminohexanoylamino)benzamide
CID 24702559
7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
CID 119670334
4-amino-N-(4-pentylphenyl)butanamide
CID 61248586
ethyl N-[4-(6-aminohexanoylamino)phenyl]carbamate
CID 43706422
7-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]heptanamide
CID 119871121

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[4-[2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]hexanamide?
The IUPAC name of 6-amino-N-[4-[2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]hexanamide (CID 169106484) is 6-amino-N-[4-[2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]hexanamide.
What is the SMILES notation for 6-amino-N-[4-[2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]hexanamide?
The canonical SMILES for 6-amino-N-[4-[2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]hexanamide is NCCCCCC(=O)Nc1ccc(CCOC2CC(O)CC(CO)O2)cc1.
What is the InChIKey of 6-amino-N-[4-[2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]hexanamide?
The InChIKey is GDZAQKVFIMGOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O5/c21-10-3-1-2-4-19(25)22-16-7-5-15(6-8-16)9-11-26-20-13-17(24)12-18(14-23)27-20/h5-8,17-18,20,23-24H,1-4,9-14,21H2,(H,22,25).
What are the key properties of 6-amino-N-[4-[2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]hexanamide?
6-amino-N-[4-[2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]hexanamide has a molecular weight of 380.49 g/mol, XLogP of 1.56, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[4-[2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]hexanamide is sourced from PubChem (CID 169106484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).