ethyl 2-[[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]carbamoyl]amino]acetate

C23H24N2O5 — CID 3925779

IUPACethyl 2-[[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O
InChIInChI=1S/C23H24N2O5/c1-3-29-21(26)12-24-23(28)25(13-17-7-5-4-6-8-17)14-18-15-30-20-10-9-16(2)11-19(20)22(18)27/h4-11,15H,3,12-14H2,1-2H3,(H,24,28)
InChIKeyNZGDQNSDZYHLME-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.38
Rot. Bonds7

About ethyl 2-[[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]carbamoyl]amino]acetate

ethyl 2-[[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]carbamoyl]amino]acetate (PubChem CID 3925779) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is ethyl 2-[[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]carbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]carbamoyl]amino]acetate
PubChem CID3925779
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Nameethyl 2-[[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O
InChIInChI=1S/C23H24N2O5/c1-3-29-21(26)12-24-23(28)25(13-17-7-5-4-6-8-17)14-18-15-30-20-10-9-16(2)11-19(20)22(18)27/h4-11,15H,3,12-14H2,1-2H3,(H,24,28)
InChIKeyNZGDQNSDZYHLME-UHFFFAOYSA-N
XLogP3.38
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-butylcarbamoyl]amino]acetate
CID 4064065
N-benzyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]butanamide
CID 42785941
1-benzyl-1-[(6-methyl-4-oxochromen-3-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 4013344
N-benzyl-2-methyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide
CID 42785956
N-benzyl-4-fluoro-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide
CID 4044638
N-benzyl-2-chloro-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide
CID 4044640
N-benzyl-4-chloro-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide
CID 4044642
N-benzyl-4-butoxy-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide
CID 42785964
N-benzyl-2-[tert-butylcarbamoyl(2-methoxyethyl)amino]-N-[(6-methyl-4-oxochromen-3-yl)methyl]acetamide
CID 4278946
N-benzyl-2-[butylcarbamoyl(oxolan-2-ylmethyl)amino]-N-[(6-methyl-4-oxochromen-3-yl)methyl]acetamide
CID 4290074
N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylbutanamide
CID 42786292
N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)pentanamide
CID 5044714

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]carbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]carbamoyl]amino]acetate (CID 3925779) is ethyl 2-[[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]carbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]carbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]carbamoyl]amino]acetate is CCOC(=O)CNC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O.
What is the InChIKey of ethyl 2-[[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]carbamoyl]amino]acetate?
The InChIKey is NZGDQNSDZYHLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-3-29-21(26)12-24-23(28)25(13-17-7-5-4-6-8-17)14-18-15-30-20-10-9-16(2)11-19(20)22(18)27/h4-11,15H,3,12-14H2,1-2H3,(H,24,28).
What are the key properties of ethyl 2-[[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]carbamoyl]amino]acetate?
ethyl 2-[[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]carbamoyl]amino]acetate has a molecular weight of 408.45 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]carbamoyl]amino]acetate is sourced from PubChem (CID 3925779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).