3-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid

C21H26N2O5 — CID 119911529

IUPAC3-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid
SMILESCOc1ccc(C(NC(=O)CN(C)CCC(=O)O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H26N2O5/c1-23(13-12-20(25)26)14-19(24)22-21(15-4-8-17(27-2)9-5-15)16-6-10-18(28-3)11-7-16/h4-11,21H,12-14H2,1-3H3,(H,22,24)(H,25,26)
InChIKeyUUVRACQCQPLVBN-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.32
Rot. Bonds10

About 3-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid

3-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid (PubChem CID 119911529) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid
PubChem CID119911529
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name3-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid
SMILESCOc1ccc(C(NC(=O)CN(C)CCC(=O)O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H26N2O5/c1-23(13-12-20(25)26)14-19(24)22-21(15-4-8-17(27-2)9-5-15)16-6-10-18(28-3)11-7-16/h4-11,21H,12-14H2,1-3H3,(H,22,24)(H,25,26)
InChIKeyUUVRACQCQPLVBN-UHFFFAOYSA-N
XLogP2.32
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[bis(4-methoxyphenyl)methyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 18197624
N-[bis(4-methoxyphenyl)methyl]-2-(dipropylamino)acetamide
CID 34600383
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8692831
N-[bis(4-methoxyphenyl)methyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide
CID 112799745
2-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 27637883
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054925
N-[bis(4-methoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 17492398
N-[bis(4-methoxyphenyl)methyl]-2-[butyl(ethyl)amino]acetamide
CID 34603328
2-[benzyl(propan-2-yl)amino]-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 18267543
N-[(4-methoxyphenyl)-phenylmethyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 17427445
N-[bis(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 18197515
N-[bis(4-methoxyphenyl)methyl]-2-chloroacetamide
CID 4962456

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid (CID 119911529) is 3-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid is COc1ccc(C(NC(=O)CN(C)CCC(=O)O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 3-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid?
The InChIKey is UUVRACQCQPLVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-23(13-12-20(25)26)14-19(24)22-21(15-4-8-17(27-2)9-5-15)16-6-10-18(28-3)11-7-16/h4-11,21H,12-14H2,1-3H3,(H,22,24)(H,25,26).
What are the key properties of 3-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid?
3-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid has a molecular weight of 386.45 g/mol, XLogP of 2.32, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid is sourced from PubChem (CID 119911529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).