tert-butyl N-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate

C21H32N2O5 — CID 19707495

IUPACtert-butyl N-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate
SMILESCOc1ccc(CCNC(=O)CNC(=O)OC(C)(C)C)cc1OC1CCCC1
InChIInChI=1S/C21H32N2O5/c1-21(2,3)28-20(25)23-14-19(24)22-12-11-15-9-10-17(26-4)18(13-15)27-16-7-5-6-8-16/h9-10,13,16H,5-8,11-12,14H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyCCPNHEUNNFSSTJ-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.20
Rot. Bonds8

About tert-butyl N-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate

tert-butyl N-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate (PubChem CID 19707495) has the molecular formula C21H32N2O5 and a molecular weight of 392.50 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate
PubChem CID19707495
Molecular FormulaC21H32N2O5
Molecular Weight392.50 g/mol
Exact Mass392.23
IUPAC Nametert-butyl N-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate
SMILESCOc1ccc(CCNC(=O)CNC(=O)OC(C)(C)C)cc1OC1CCCC1
InChIInChI=1S/C21H32N2O5/c1-21(2,3)28-20(25)23-14-19(24)22-12-11-15-9-10-17(26-4)18(13-15)27-16-7-5-6-8-16/h9-10,13,16H,5-8,11-12,14H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyCCPNHEUNNFSSTJ-UHFFFAOYSA-N
XLogP3.20
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 3901143
tert-butyl N-[2-[3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]propylamino]-2-oxoethyl]carbamate
CID 108918803
propan-2-yl N-[2-(4-cyclohexadecyloxy-3-methoxyphenyl)ethyl]carbamate
CID 130323714
tert-butyl N-[2-[3-methoxy-4-(trideuteriomethoxy)phenyl]ethyl]carbamate
CID 178156317
2-(cyclopropylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 112994029
N-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 142662106
methyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]benzoate
CID 23222832
tert-butyl N-[2-[[4-[3-(3,4-dimethoxyphenyl)propanoylamino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917695
N-tert-butyl-2-[[N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111385584
tert-butyl N-[2-(3-formyl-4-methoxyphenyl)ethyl]carbamate
CID 175662154
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
2-amino-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]acetamide
CID 60848971

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate (CID 19707495) is tert-butyl N-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate is COc1ccc(CCNC(=O)CNC(=O)OC(C)(C)C)cc1OC1CCCC1.
What is the InChIKey of tert-butyl N-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate?
The InChIKey is CCPNHEUNNFSSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O5/c1-21(2,3)28-20(25)23-14-19(24)22-12-11-15-9-10-17(26-4)18(13-15)27-16-7-5-6-8-16/h9-10,13,16H,5-8,11-12,14H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of tert-butyl N-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate has a molecular weight of 392.50 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 19707495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).