methyl 3-[3,3-diphenylpropanoyl(2-methylpropyl)amino]propanoate

C23H29NO3 — CID 52663836

IUPACmethyl 3-[3,3-diphenylpropanoyl(2-methylpropyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29NO3/c1-18(2)17-24(15-14-23(26)27-3)22(25)16-21(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,18,21H,14-17H2,1-3H3
InChIKeyOVMJWXLFJLRFQK-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.26
Rot. Bonds9

About methyl 3-[3,3-diphenylpropanoyl(2-methylpropyl)amino]propanoate

methyl 3-[3,3-diphenylpropanoyl(2-methylpropyl)amino]propanoate (PubChem CID 52663836) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is methyl 3-[3,3-diphenylpropanoyl(2-methylpropyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[3,3-diphenylpropanoyl(2-methylpropyl)amino]propanoate
PubChem CID52663836
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Namemethyl 3-[3,3-diphenylpropanoyl(2-methylpropyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29NO3/c1-18(2)17-24(15-14-23(26)27-3)22(25)16-21(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,18,21H,14-17H2,1-3H3
InChIKeyOVMJWXLFJLRFQK-UHFFFAOYSA-N
XLogP4.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[benzoyl(2-methylpropyl)amino]propanoate
CID 60860018
3-[2-methylpropyl(3-phenylpent-4-enoyl)amino]propanoic acid
CID 120516356
methyl 3-[4-hydroxybutanoyl(2-methylpropyl)amino]propanoate
CID 79203299
methyl 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62010902
methyl 3-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]-(2-methylpropyl)amino]propanoate
CID 55819970
methyl 3-[methyl(2-phenylbutanoyl)amino]propanoate
CID 54980359
N-(2-methoxyethyl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 78853346
methyl 3-[(2-chloro-2-phenylacetyl)-(2-methoxyethyl)amino]propanoate
CID 115534215
methyl 5,5-diphenylpentanoate
CID 10923549
3-[[2-[benzenesulfonyl(methyl)amino]acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190065
N-(2-methoxyethyl)-N-(2-methylpropyl)-4-phenylbutanamide
CID 78876109
methyl 3-[[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]-(2-methylpropyl)amino]propanoate
CID 55820482

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3,3-diphenylpropanoyl(2-methylpropyl)amino]propanoate?
The IUPAC name of methyl 3-[3,3-diphenylpropanoyl(2-methylpropyl)amino]propanoate (CID 52663836) is methyl 3-[3,3-diphenylpropanoyl(2-methylpropyl)amino]propanoate.
What is the SMILES notation for methyl 3-[3,3-diphenylpropanoyl(2-methylpropyl)amino]propanoate?
The canonical SMILES for methyl 3-[3,3-diphenylpropanoyl(2-methylpropyl)amino]propanoate is COC(=O)CCN(CC(C)C)C(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 3-[3,3-diphenylpropanoyl(2-methylpropyl)amino]propanoate?
The InChIKey is OVMJWXLFJLRFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-18(2)17-24(15-14-23(26)27-3)22(25)16-21(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,18,21H,14-17H2,1-3H3.
What are the key properties of methyl 3-[3,3-diphenylpropanoyl(2-methylpropyl)amino]propanoate?
methyl 3-[3,3-diphenylpropanoyl(2-methylpropyl)amino]propanoate has a molecular weight of 367.49 g/mol, XLogP of 4.26, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3,3-diphenylpropanoyl(2-methylpropyl)amino]propanoate is sourced from PubChem (CID 52663836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).