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

C27H48N2O5 — CID 68576835

IUPACN-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2,2-dimethylpentanamide
SMILESCCCC(C)(C)C(=O)NCC(O)C(N)CC(Cc1ccc(OC)c(OCCCOC)c1)C(C)C
InChIInChI=1S/C27H48N2O5/c1-8-12-27(4,5)26(31)29-18-23(30)22(28)17-21(19(2)3)15-20-10-11-24(33-7)25(16-20)34-14-9-13-32-6/h10-11,16,19,21-23,30H,8-9,12-15,17-18,28H2,1-7H3,(H,29,31)
InChIKeyWUSZDGYTHXDSCN-UHFFFAOYSA-N
MW480.69 g/mol
LogP3.95
Rot. Bonds17

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

N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2,2-dimethylpentanamide (PubChem CID 68576835) has the molecular formula C27H48N2O5 and a molecular weight of 480.69 g/mol. Its IUPAC name is N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2,2-dimethylpentanamide.

Molecular Properties

Compound NameN-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2,2-dimethylpentanamide
PubChem CID68576835
Molecular FormulaC27H48N2O5
Molecular Weight480.69 g/mol
Exact Mass480.36
IUPAC NameN-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2,2-dimethylpentanamide
SMILESCCCC(C)(C)C(=O)NCC(O)C(N)CC(Cc1ccc(OC)c(OCCCOC)c1)C(C)C
InChIInChI=1S/C27H48N2O5/c1-8-12-27(4,5)26(31)29-18-23(30)22(28)17-21(19(2)3)15-20-10-11-24(33-7)25(16-20)34-14-9-13-32-6/h10-11,16,19,21-23,30H,8-9,12-15,17-18,28H2,1-7H3,(H,29,31)
InChIKeyWUSZDGYTHXDSCN-UHFFFAOYSA-N
XLogP3.95
TPSA103.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.69
LogP ≤ 53.95
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]-2,2-dimethylpentanamide;hydrochloride
CID 68576838
N-[(2R,3R,5S)-3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide
CID 69227113
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-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methoxy-2-methylpropanamide;hydrochloride
CID 68576302
N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-(4-methoxyphenyl)-2-methylpropanamide;hydrochloride
CID 68576160
(2S)-N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-3,3,3-trifluoro-2-methoxy-2-methylpropanamide
CID 68576759
N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-3,3,3-trifluoro-2-methoxy-2-(trifluoromethyl)propanamide
CID 87502757
N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[[3-(3-methoxypropoxy)-4-phenylphenyl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide
CID 11562918
N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride
CID 68693720
N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methyl-2-piperidin-4-ylpropanamide;dihydrochloride
CID 68576271
(2R)-N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methoxy-3,3-dimethylbutanamide;hydrochloride
CID 68693039
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

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2,2-dimethylpentanamide?
The IUPAC name of N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2,2-dimethylpentanamide (CID 68576835) is N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2,2-dimethylpentanamide.
What is the SMILES notation for N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2,2-dimethylpentanamide?
The canonical SMILES for N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2,2-dimethylpentanamide is CCCC(C)(C)C(=O)NCC(O)C(N)CC(Cc1ccc(OC)c(OCCCOC)c1)C(C)C.
What is the InChIKey of N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2,2-dimethylpentanamide?
The InChIKey is WUSZDGYTHXDSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48N2O5/c1-8-12-27(4,5)26(31)29-18-23(30)22(28)17-21(19(2)3)15-20-10-11-24(33-7)25(16-20)34-14-9-13-32-6/h10-11,16,19,21-23,30H,8-9,12-15,17-18,28H2,1-7H3,(H,29,31).
What are the key properties of N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2,2-dimethylpentanamide?
N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2,2-dimethylpentanamide has a molecular weight of 480.69 g/mol, XLogP of 3.95, 17 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]-2,2-dimethylpentanamide is sourced from PubChem (CID 68576835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).