N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-cyclohexylacetamide

C28H48N2O5 — CID 72986934

IUPACN-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-cyclohexylacetamide
SMILESCOCCCOc1cc(CC(CC(N)C(O)CNC(=O)CC2CCCCC2)C(C)C)ccc1OC
InChIInChI=1S/C28H48N2O5/c1-20(2)23(15-22-11-12-26(34-4)27(16-22)35-14-8-13-33-3)18-24(29)25(31)19-30-28(32)17-21-9-6-5-7-10-21/h11-12,16,20-21,23-25,31H,5-10,13-15,17-19,29H2,1-4H3,(H,30,32)
InChIKeyWAEXSGZHSAETSM-UHFFFAOYSA-N
MW492.70 g/mol
LogP4.09
Rot. Bonds16

About N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-cyclohexylacetamide

N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-cyclohexylacetamide (PubChem CID 72986934) has the molecular formula C28H48N2O5 and a molecular weight of 492.70 g/mol. Its IUPAC name is N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-cyclohexylacetamide
PubChem CID72986934
Molecular FormulaC28H48N2O5
Molecular Weight492.70 g/mol
Exact Mass492.36
IUPAC NameN-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-cyclohexylacetamide
SMILESCOCCCOc1cc(CC(CC(N)C(O)CNC(=O)CC2CCCCC2)C(C)C)ccc1OC
InChIInChI=1S/C28H48N2O5/c1-20(2)23(15-22-11-12-26(34-4)27(16-22)35-14-8-13-33-3)18-24(29)25(31)19-30-28(32)17-21-9-6-5-7-10-21/h11-12,16,20-21,23-25,31H,5-10,13-15,17-19,29H2,1-4H3,(H,30,32)
InChIKeyWAEXSGZHSAETSM-UHFFFAOYSA-N
XLogP4.09
TPSA103.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.70
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-cyclohexyl-2,2-difluoroacetamide
CID 68576211
N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-cyclopentyl-2-methylpropanamide;hydrochloride
CID 68575539
N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-cyclohexyloxy-2-methylpropanamide
CID 68575790
3-[[(2S,3S,5S)-3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]amino]-4-(cyclohexylmethylamino)cyclobut-3-ene-1,2-dione
CID 87569892
1-[(2S,3S,5S)-3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-3-(2-cyclopropylethyl)urea
CID 11627109
N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-(3-methylphenyl)acetamide
CID 73034265
N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methyl-2-piperidin-4-ylpropanamide;dihydrochloride
CID 68576271
N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methoxy-2-methylpropanamide
CID 68576305
N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]benzamide;hydrochloride
CID 68576067
N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methoxy-2-methylpropanamide;hydrochloride
CID 68576302
(2S,4S,5S,7S)-5-amino-N-(3-cyclohexyl-2,2-dimethylpropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;hydrochloride
CID 122195007
(2R)-N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methoxy-3,3-dimethylbutanamide;hydrochloride
CID 68693039

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-cyclohexylacetamide?
The IUPAC name of N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-cyclohexylacetamide (CID 72986934) is N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-cyclohexylacetamide?
The canonical SMILES for N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-cyclohexylacetamide is COCCCOc1cc(CC(CC(N)C(O)CNC(=O)CC2CCCCC2)C(C)C)ccc1OC.
What is the InChIKey of N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-cyclohexylacetamide?
The InChIKey is WAEXSGZHSAETSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48N2O5/c1-20(2)23(15-22-11-12-26(34-4)27(16-22)35-14-8-13-33-3)18-24(29)25(31)19-30-28(32)17-21-9-6-5-7-10-21/h11-12,16,20-21,23-25,31H,5-10,13-15,17-19,29H2,1-4H3,(H,30,32).
What are the key properties of N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-cyclohexylacetamide?
N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-cyclohexylacetamide has a molecular weight of 492.70 g/mol, XLogP of 4.09, 16 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-cyclohexylacetamide is sourced from PubChem (CID 72986934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).