[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate

C21H28N2O5 — CID 55401551

IUPAC[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
SMILESCOc1ccc(CN(C(=O)COC(=O)CN2CCCCCC2=O)C2CC2)cc1
InChIInChI=1S/C21H28N2O5/c1-27-18-10-6-16(7-11-18)13-23(17-8-9-17)20(25)15-28-21(26)14-22-12-4-2-3-5-19(22)24/h6-7,10-11,17H,2-5,8-9,12-15H2,1H3
InChIKeyZLNNKBGSABZZKC-UHFFFAOYSA-N
MW388.46 g/mol
LogP2.13
Rot. Bonds8

About [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate

[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate (PubChem CID 55401551) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate.

Molecular Properties

Compound Name[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
PubChem CID55401551
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Name[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
SMILESCOc1ccc(CN(C(=O)COC(=O)CN2CCCCCC2=O)C2CC2)cc1
InChIInChI=1S/C21H28N2O5/c1-27-18-10-6-16(7-11-18)13-23(17-8-9-17)20(25)15-28-21(26)14-22-12-4-2-3-5-19(22)24/h6-7,10-11,17H,2-5,8-9,12-15H2,1H3
InChIKeyZLNNKBGSABZZKC-UHFFFAOYSA-N
XLogP2.13
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[(4-methoxyphenyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78865696
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate
CID 34579944
N-benzyl-N-cyclohexyl-2-(2-oxoazepan-1-yl)acetamide
CID 71890310
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9299632
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 55401274
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 118789700
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 31425201
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 18201195
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 34930757
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 18201367
2-(2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 78811041

Frequently Asked Questions

What is the IUPAC name of [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate?
The IUPAC name of [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate (CID 55401551) is [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate.
What is the SMILES notation for [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate?
The canonical SMILES for [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate is COc1ccc(CN(C(=O)COC(=O)CN2CCCCCC2=O)C2CC2)cc1.
What is the InChIKey of [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate?
The InChIKey is ZLNNKBGSABZZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5/c1-27-18-10-6-16(7-11-18)13-23(17-8-9-17)20(25)15-28-21(26)14-22-12-4-2-3-5-19(22)24/h6-7,10-11,17H,2-5,8-9,12-15H2,1H3.
What are the key properties of [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate?
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate has a molecular weight of 388.46 g/mol, XLogP of 2.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate is sourced from PubChem (CID 55401551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).