methyl 4-methyl-2-[[3,4,5-tris(phenylmethoxy)benzoyl]amino]pentanoate

C35H37NO6 — CID 142728752

IUPACmethyl 4-methyl-2-[[3,4,5-tris(phenylmethoxy)benzoyl]amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C35H37NO6/c1-25(2)19-30(35(38)39-3)36-34(37)29-20-31(40-22-26-13-7-4-8-14-26)33(42-24-28-17-11-6-12-18-28)32(21-29)41-23-27-15-9-5-10-16-27/h4-18,20-21,25,30H,19,22-24H2,1-3H3,(H,36,37)
InChIKeyPBMVBVOJERPIOT-UHFFFAOYSA-N
MW567.68 g/mol
LogP6.74
Rot. Bonds14

About methyl 4-methyl-2-[[3,4,5-tris(phenylmethoxy)benzoyl]amino]pentanoate

methyl 4-methyl-2-[[3,4,5-tris(phenylmethoxy)benzoyl]amino]pentanoate (PubChem CID 142728752) has the molecular formula C35H37NO6 and a molecular weight of 567.68 g/mol. Its IUPAC name is methyl 4-methyl-2-[[3,4,5-tris(phenylmethoxy)benzoyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[[3,4,5-tris(phenylmethoxy)benzoyl]amino]pentanoate
PubChem CID142728752
Molecular FormulaC35H37NO6
Molecular Weight567.68 g/mol
Exact Mass567.26
IUPAC Namemethyl 4-methyl-2-[[3,4,5-tris(phenylmethoxy)benzoyl]amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C35H37NO6/c1-25(2)19-30(35(38)39-3)36-34(37)29-20-31(40-22-26-13-7-4-8-14-26)33(42-24-28-17-11-6-12-18-28)32(21-29)41-23-27-15-9-5-10-16-27/h4-18,20-21,25,30H,19,22-24H2,1-3H3,(H,36,37)
InChIKeyPBMVBVOJERPIOT-UHFFFAOYSA-N
XLogP6.74
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.68
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-methyl-2-[[3,4,5-tris(phenylmethoxy)benzoyl]amino]pentanoate with MolForge

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Related Compounds

methyl (2R)-6-[(2-phenylacetyl)amino]-2-[[3,4,5-tris(phenylmethoxy)benzoyl]amino]hexanoate
CID 99648353
methyl 2-[[3-(aminomethyl)benzoyl]amino]-4-methylpentanoate
CID 82546362
methyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 3091440
methyl (2S)-4-methyl-2-[[(2R)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoate
CID 7237625
benzyl (2S)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7351613
methyl (2S)-2-[(3-aminobenzoyl)amino]-4-methylpentanoate
CID 59948585
methyl 2-[(3-aminobenzoyl)amino]-4-methylpentanoate
CID 20624047
N-(2-amino-1-cyclopropylethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119616315
N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119384512
methyl (2S)-2-benzamido-3-phenylmethoxypropanoate
CID 10870709
methyl (2R)-2-[(3-bromobenzoyl)amino]-4-methylpentanoate
CID 40570434
4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide
CID 82069733

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[[3,4,5-tris(phenylmethoxy)benzoyl]amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[[3,4,5-tris(phenylmethoxy)benzoyl]amino]pentanoate (CID 142728752) is methyl 4-methyl-2-[[3,4,5-tris(phenylmethoxy)benzoyl]amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[[3,4,5-tris(phenylmethoxy)benzoyl]amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[[3,4,5-tris(phenylmethoxy)benzoyl]amino]pentanoate is COC(=O)C(CC(C)C)NC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of methyl 4-methyl-2-[[3,4,5-tris(phenylmethoxy)benzoyl]amino]pentanoate?
The InChIKey is PBMVBVOJERPIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37NO6/c1-25(2)19-30(35(38)39-3)36-34(37)29-20-31(40-22-26-13-7-4-8-14-26)33(42-24-28-17-11-6-12-18-28)32(21-29)41-23-27-15-9-5-10-16-27/h4-18,20-21,25,30H,19,22-24H2,1-3H3,(H,36,37).
What are the key properties of methyl 4-methyl-2-[[3,4,5-tris(phenylmethoxy)benzoyl]amino]pentanoate?
methyl 4-methyl-2-[[3,4,5-tris(phenylmethoxy)benzoyl]amino]pentanoate has a molecular weight of 567.68 g/mol, XLogP of 6.74, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[[3,4,5-tris(phenylmethoxy)benzoyl]amino]pentanoate is sourced from PubChem (CID 142728752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).