[(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate

C27H29NO5 — CID 31883866

IUPAC[(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)O[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)c(OC)c1
InChIInChI=1S/C27H29NO5/c1-20(33-26(29)16-23-14-15-24(31-2)17-25(23)32-3)27(30)28(18-21-10-6-4-7-11-21)19-22-12-8-5-9-13-22/h4-15,17,20H,16,18-19H2,1-3H3/t20-/m1/s1
InChIKeyNLRWKTPQVIWMGZ-HXUWFJFHSA-N
MW447.53 g/mol
LogP4.41
Rot. Bonds10

About [(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate

[(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate (PubChem CID 31883866) has the molecular formula C27H29NO5 and a molecular weight of 447.53 g/mol. Its IUPAC name is [(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name[(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
PubChem CID31883866
Molecular FormulaC27H29NO5
Molecular Weight447.53 g/mol
Exact Mass447.20
IUPAC Name[(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)O[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)c(OC)c1
InChIInChI=1S/C27H29NO5/c1-20(33-26(29)16-23-14-15-24(31-2)17-25(23)32-3)27(30)28(18-21-10-6-4-7-11-21)19-22-12-8-5-9-13-22/h4-15,17,20H,16,18-19H2,1-3H3/t20-/m1/s1
InChIKeyNLRWKTPQVIWMGZ-HXUWFJFHSA-N
XLogP4.41
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.53
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(dibenzylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 55319467
N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide
CID 110767880
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 9029412
[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 55425172
[(2S)-1-(dibenzylamino)-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 2572185
[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2,4-dimethoxybenzoate
CID 7726336
(2S)-N,N-dibenzyl-2-(2-methoxyphenoxy)propanamide
CID 40742883
[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 9385283
[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 9385346
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 43027380
[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 9385326

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate?
The IUPAC name of [(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate (CID 31883866) is [(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate.
What is the SMILES notation for [(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate?
The canonical SMILES for [(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate is COc1ccc(CC(=O)O[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)c(OC)c1.
What is the InChIKey of [(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate?
The InChIKey is NLRWKTPQVIWMGZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H29NO5/c1-20(33-26(29)16-23-14-15-24(31-2)17-25(23)32-3)27(30)28(18-21-10-6-4-7-11-21)19-22-12-8-5-9-13-22/h4-15,17,20H,16,18-19H2,1-3H3/t20-/m1/s1.
What are the key properties of [(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate?
[(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate has a molecular weight of 447.53 g/mol, XLogP of 4.41, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate is sourced from PubChem (CID 31883866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).