ethyl N-[3-[2-(2-tert-butylanilino)-2-oxoethoxy]phenyl]carbamate

C21H26N2O4 — CID 29183042

IUPACethyl N-[3-[2-(2-tert-butylanilino)-2-oxoethoxy]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(OCC(=O)Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C21H26N2O4/c1-5-26-20(25)22-15-9-8-10-16(13-15)27-14-19(24)23-18-12-7-6-11-17(18)21(2,3)4/h6-13H,5,14H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyGJZVPSWBLYCZBS-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.57
Rot. Bonds6

About ethyl N-[3-[2-(2-tert-butylanilino)-2-oxoethoxy]phenyl]carbamate

ethyl N-[3-[2-(2-tert-butylanilino)-2-oxoethoxy]phenyl]carbamate (PubChem CID 29183042) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is ethyl N-[3-[2-(2-tert-butylanilino)-2-oxoethoxy]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[2-(2-tert-butylanilino)-2-oxoethoxy]phenyl]carbamate
PubChem CID29183042
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Nameethyl N-[3-[2-(2-tert-butylanilino)-2-oxoethoxy]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(OCC(=O)Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C21H26N2O4/c1-5-26-20(25)22-15-9-8-10-16(13-15)27-14-19(24)23-18-12-7-6-11-17(18)21(2,3)4/h6-13H,5,14H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyGJZVPSWBLYCZBS-UHFFFAOYSA-N
XLogP4.57
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[3-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]carbamate
CID 30011225
N-(2-tert-butylphenyl)-2-(3-ethylphenoxy)acetamide
CID 7920123
2-[3-[[2-(2-tert-butylphenoxy)acetyl]amino]phenoxy]-N-ethylacetamide
CID 34870464
[2-(2-tert-butylanilino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 42967141
ethyl N-[3-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]phenyl]carbamate
CID 2092397
ethyl N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]carbamate
CID 35775899
N-(2-tert-butylphenyl)-2-(4-fluorophenoxy)acetamide
CID 40597489
N-(2-tert-butylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 112997501
ethyl N-(3-propoxyphenyl)carbamate
CID 60643143
ethyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate
CID 30011094
ethyl N-[2-methyl-3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]carbamate
CID 87043151
N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)acetamide
CID 2632006

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[2-(2-tert-butylanilino)-2-oxoethoxy]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[2-(2-tert-butylanilino)-2-oxoethoxy]phenyl]carbamate (CID 29183042) is ethyl N-[3-[2-(2-tert-butylanilino)-2-oxoethoxy]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[2-(2-tert-butylanilino)-2-oxoethoxy]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[2-(2-tert-butylanilino)-2-oxoethoxy]phenyl]carbamate is CCOC(=O)Nc1cccc(OCC(=O)Nc2ccccc2C(C)(C)C)c1.
What is the InChIKey of ethyl N-[3-[2-(2-tert-butylanilino)-2-oxoethoxy]phenyl]carbamate?
The InChIKey is GJZVPSWBLYCZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-5-26-20(25)22-15-9-8-10-16(13-15)27-14-19(24)23-18-12-7-6-11-17(18)21(2,3)4/h6-13H,5,14H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of ethyl N-[3-[2-(2-tert-butylanilino)-2-oxoethoxy]phenyl]carbamate?
ethyl N-[3-[2-(2-tert-butylanilino)-2-oxoethoxy]phenyl]carbamate has a molecular weight of 370.45 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[2-(2-tert-butylanilino)-2-oxoethoxy]phenyl]carbamate is sourced from PubChem (CID 29183042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).