methyl 6-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]hexanoate

C22H27NO4 — CID 46557017

IUPACmethyl 6-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1cccc(OCc2cccc(C)c2)c1
InChIInChI=1S/C22H27NO4/c1-17-8-6-9-18(14-17)16-27-20-11-7-10-19(15-20)22(25)23-13-5-3-4-12-21(24)26-2/h6-11,14-15H,3-5,12-13,16H2,1-2H3,(H,23,25)
InChIKeyNDACZGIENJCEET-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.04
Rot. Bonds10

About methyl 6-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]hexanoate

methyl 6-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]hexanoate (PubChem CID 46557017) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is methyl 6-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]hexanoate
PubChem CID46557017
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Namemethyl 6-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1cccc(OCc2cccc(C)c2)c1
InChIInChI=1S/C22H27NO4/c1-17-8-6-9-18(14-17)16-27-20-11-7-10-19(15-20)22(25)23-13-5-3-4-12-21(24)26-2/h6-11,14-15H,3-5,12-13,16H2,1-2H3,(H,23,25)
InChIKeyNDACZGIENJCEET-UHFFFAOYSA-N
XLogP4.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119508535
methyl 7-[(3-phenoxybenzoyl)amino]heptanoate
CID 36622065
methyl 6-[(3-phenoxybenzoyl)amino]hexanoate
CID 31839416
methyl 4-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]butanoate
CID 2530370
N-pentyl-3-phenylmethoxybenzamide
CID 112759707
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108
methyl 6-[(3-chlorobenzoyl)amino]hexanoate
CID 43404554
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352
3-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]benzamide
CID 33097042
methyl 6-[[4-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoate
CID 30853271
methyl 3-[[3-[(4-cyanophenyl)methoxy]benzoyl]amino]propanoate
CID 139616417
N-(3-amino-2-methylpropyl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119995953

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]hexanoate?
The IUPAC name of methyl 6-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]hexanoate (CID 46557017) is methyl 6-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]hexanoate.
What is the SMILES notation for methyl 6-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]hexanoate?
The canonical SMILES for methyl 6-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]hexanoate is COC(=O)CCCCCNC(=O)c1cccc(OCc2cccc(C)c2)c1.
What is the InChIKey of methyl 6-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]hexanoate?
The InChIKey is NDACZGIENJCEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-17-8-6-9-18(14-17)16-27-20-11-7-10-19(15-20)22(25)23-13-5-3-4-12-21(24)26-2/h6-11,14-15H,3-5,12-13,16H2,1-2H3,(H,23,25).
What are the key properties of methyl 6-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]hexanoate?
methyl 6-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]hexanoate has a molecular weight of 369.46 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]hexanoate is sourced from PubChem (CID 46557017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).