methyl 2-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]-2-methylpentanoate

C20H31NO5 — CID 55670323

IUPACmethyl 2-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1ccc(OCCC(C)C)c(OC)c1)C(=O)OC
InChIInChI=1S/C20H31NO5/c1-7-11-20(4,19(23)25-6)21-18(22)15-8-9-16(17(13-15)24-5)26-12-10-14(2)3/h8-9,13-14H,7,10-12H2,1-6H3,(H,21,22)
InChIKeyUQPJLYDFEVULQW-UHFFFAOYSA-N
MW365.47 g/mol
LogP3.58
Rot. Bonds10

About methyl 2-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]-2-methylpentanoate

methyl 2-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]-2-methylpentanoate (PubChem CID 55670323) has the molecular formula C20H31NO5 and a molecular weight of 365.47 g/mol. Its IUPAC name is methyl 2-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]-2-methylpentanoate
PubChem CID55670323
Molecular FormulaC20H31NO5
Molecular Weight365.47 g/mol
Exact Mass365.22
IUPAC Namemethyl 2-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1ccc(OCCC(C)C)c(OC)c1)C(=O)OC
InChIInChI=1S/C20H31NO5/c1-7-11-20(4,19(23)25-6)21-18(22)15-8-9-16(17(13-15)24-5)26-12-10-14(2)3/h8-9,13-14H,7,10-12H2,1-6H3,(H,21,22)
InChIKeyUQPJLYDFEVULQW-UHFFFAOYSA-N
XLogP3.58
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(6-methoxypyridine-3-carbonyl)amino]-2-methylpentanoate
CID 43431490
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 120505097
N'-(4,4-dimethylpent-2-enoyl)-3-methoxy-4-(3-methylbutoxy)benzohydrazide
CID 72689752
N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide
CID 51186820
methyl 2-[(4-chloro-3-methylbenzoyl)amino]-2-methylpentanoate
CID 115694595
3-methoxy-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 25486360
methyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpentanoate
CID 43423746
N-butan-2-yl-3-methoxy-N-methyl-4-(3-methylbutoxy)benzamide
CID 75872470
methyl 2-[(3,5-dibromobenzoyl)amino]-2-methylpentanoate
CID 107973836
(E)-N-tert-butyl-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide
CID 19201281
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide
CID 24535877
N-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 112791004

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]-2-methylpentanoate?
The IUPAC name of methyl 2-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]-2-methylpentanoate (CID 55670323) is methyl 2-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]-2-methylpentanoate is CCCC(C)(NC(=O)c1ccc(OCCC(C)C)c(OC)c1)C(=O)OC.
What is the InChIKey of methyl 2-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]-2-methylpentanoate?
The InChIKey is UQPJLYDFEVULQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO5/c1-7-11-20(4,19(23)25-6)21-18(22)15-8-9-16(17(13-15)24-5)26-12-10-14(2)3/h8-9,13-14H,7,10-12H2,1-6H3,(H,21,22).
What are the key properties of methyl 2-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]-2-methylpentanoate?
methyl 2-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]-2-methylpentanoate has a molecular weight of 365.47 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]-2-methylpentanoate is sourced from PubChem (CID 55670323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).