ethanol;N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide;2-methylbutane;propan-2-ol

C28H55NO5 — CID 174965538

IUPACethanol;N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide;2-methylbutane;propan-2-ol
SMILESCC(C)O.CCC(C)C.CCO.COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O
InChIInChI=1S/C18H29NO3.C5H12.C3H8O.C2H6O/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3;1-4-5(2)3;1-3(2)4;1-2-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21);5H,4H2,1-3H3;3-4H,1-2H3;3H,2H2,1H3
InChIKeyLLBQNQOMBVKSSS-UHFFFAOYSA-N
MW485.75 g/mol
LogP6.45
Rot. Bonds11

About ethanol;N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide;2-methylbutane;propan-2-ol

ethanol;N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide;2-methylbutane;propan-2-ol (PubChem CID 174965538) has the molecular formula C28H55NO5 and a molecular weight of 485.75 g/mol. Its IUPAC name is ethanol;N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide;2-methylbutane;propan-2-ol.

Molecular Properties

Compound Nameethanol;N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide;2-methylbutane;propan-2-ol
PubChem CID174965538
Molecular FormulaC28H55NO5
Molecular Weight485.75 g/mol
Exact Mass485.41
IUPAC Nameethanol;N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide;2-methylbutane;propan-2-ol
SMILESCC(C)O.CCC(C)C.CCO.COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O
InChIInChI=1S/C18H29NO3.C5H12.C3H8O.C2H6O/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3;1-4-5(2)3;1-3(2)4;1-2-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21);5H,4H2,1-3H3;3-4H,1-2H3;3H,2H2,1H3
InChIKeyLLBQNQOMBVKSSS-UHFFFAOYSA-N
XLogP6.45
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.75
LogP ≤ 56.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethanol;N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide;2-methylbutane;propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 2998
[2-methoxy-4-[(8-methylnonanoylamino)methyl]phenyl] acetate
CID 91715808
N-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide acetate
CID 20976476
8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]non-6-enamide
CID 162817846
N-[(4-hydroxy-3-methoxyphenyl)methyl]undec-10-ynamide
CID 3032050
[2-methoxy-4-[(8-methylnonanoylamino)methyl]phenyl] 2,2,2-trifluoroacetate
CID 91737115
N-[(4-hydroxy-3-methoxyphenyl)methyl]non-6-ynamide
CID 156856948
N-[(4-hydroxy-3-methoxyphenyl)methyl]oct-6-ynamide
CID 156856949
[2-methoxy-4-[(8-methylnonanoylamino)methyl]phenoxy]methyl hydrogen sulfite
CID 145358690
(4-hydroxy-3-methoxyphenyl)methyl 10-methylundecanoate
CID 68603374
4-(aminomethyl)-2-methoxyphenol;N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide
CID 174887976
N-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]-8-methylnonanamide
CID 35026498

Frequently Asked Questions

What is the IUPAC name of ethanol;N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide;2-methylbutane;propan-2-ol?
The IUPAC name of ethanol;N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide;2-methylbutane;propan-2-ol (CID 174965538) is ethanol;N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide;2-methylbutane;propan-2-ol.
What is the SMILES notation for ethanol;N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide;2-methylbutane;propan-2-ol?
The canonical SMILES for ethanol;N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide;2-methylbutane;propan-2-ol is CC(C)O.CCC(C)C.CCO.COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O.
What is the InChIKey of ethanol;N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide;2-methylbutane;propan-2-ol?
The InChIKey is LLBQNQOMBVKSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3.C5H12.C3H8O.C2H6O/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3;1-4-5(2)3;1-3(2)4;1-2-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21);5H,4H2,1-3H3;3-4H,1-2H3;3H,2H2,1H3.
What are the key properties of ethanol;N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide;2-methylbutane;propan-2-ol?
ethanol;N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide;2-methylbutane;propan-2-ol has a molecular weight of 485.75 g/mol, XLogP of 6.45, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide;2-methylbutane;propan-2-ol is sourced from PubChem (CID 174965538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).