tert-butyl 2-[3-methoxy-4-[(2-phenylmethoxyphenyl)carbamoylamino]phenyl]acetate

C27H30N2O5 — CID 23511829

IUPACtert-butyl 2-[3-methoxy-4-[(2-phenylmethoxyphenyl)carbamoylamino]phenyl]acetate
SMILESCOc1cc(CC(=O)OC(C)(C)C)ccc1NC(=O)Nc1ccccc1OCc1ccccc1
InChIInChI=1S/C27H30N2O5/c1-27(2,3)34-25(30)17-20-14-15-22(24(16-20)32-4)29-26(31)28-21-12-8-9-13-23(21)33-18-19-10-6-5-7-11-19/h5-16H,17-18H2,1-4H3,(H2,28,29,31)
InChIKeyFHOVJBMHSJFVOE-UHFFFAOYSA-N
MW462.55 g/mol
LogP5.80
Rot. Bonds8

About tert-butyl 2-[3-methoxy-4-[(2-phenylmethoxyphenyl)carbamoylamino]phenyl]acetate

tert-butyl 2-[3-methoxy-4-[(2-phenylmethoxyphenyl)carbamoylamino]phenyl]acetate (PubChem CID 23511829) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is tert-butyl 2-[3-methoxy-4-[(2-phenylmethoxyphenyl)carbamoylamino]phenyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[3-methoxy-4-[(2-phenylmethoxyphenyl)carbamoylamino]phenyl]acetate
PubChem CID23511829
Molecular FormulaC27H30N2O5
Molecular Weight462.55 g/mol
Exact Mass462.22
IUPAC Nametert-butyl 2-[3-methoxy-4-[(2-phenylmethoxyphenyl)carbamoylamino]phenyl]acetate
SMILESCOc1cc(CC(=O)OC(C)(C)C)ccc1NC(=O)Nc1ccccc1OCc1ccccc1
InChIInChI=1S/C27H30N2O5/c1-27(2,3)34-25(30)17-20-14-15-22(24(16-20)32-4)29-26(31)28-21-12-8-9-13-23(21)33-18-19-10-6-5-7-11-19/h5-16H,17-18H2,1-4H3,(H2,28,29,31)
InChIKeyFHOVJBMHSJFVOE-UHFFFAOYSA-N
XLogP5.80
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[3-methoxy-4-[(2-phenylmethoxyphenyl)carbamoylamino]phenyl]acetate with MolForge

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Related Compounds

2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid
CID 23512067
tert-butyl 2-[4-[(2-bromophenyl)carbamoylamino]-3-methylphenyl]acetate
CID 23512004
2-(2-methoxyphenoxy)-N-(2-phenylmethoxyphenyl)propanamide
CID 17093523
1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59725734
3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoic acid
CID 54328163
5-bromo-2-methoxy-N-(2-phenylmethoxyphenyl)benzamide
CID 17094328
1-[4-(4-amino-2-oxobutyl)-2-methoxyphenyl]-3-(2-methylphenyl)urea
CID 141036377
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]phenyl]acetamide
CID 9017937
tert-butyl N-[4-(hydroxymethyl)-2-methoxyphenyl]carbamate
CID 86720230
N-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide
CID 7506189
tert-butyl N-[2-methoxy-4-(2-oxopentyl)phenyl]carbamate
CID 70242201
3-methoxy-4-[4-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-3-oxobutoxy]benzoic acid
CID 23512378

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-methoxy-4-[(2-phenylmethoxyphenyl)carbamoylamino]phenyl]acetate?
The IUPAC name of tert-butyl 2-[3-methoxy-4-[(2-phenylmethoxyphenyl)carbamoylamino]phenyl]acetate (CID 23511829) is tert-butyl 2-[3-methoxy-4-[(2-phenylmethoxyphenyl)carbamoylamino]phenyl]acetate.
What is the SMILES notation for tert-butyl 2-[3-methoxy-4-[(2-phenylmethoxyphenyl)carbamoylamino]phenyl]acetate?
The canonical SMILES for tert-butyl 2-[3-methoxy-4-[(2-phenylmethoxyphenyl)carbamoylamino]phenyl]acetate is COc1cc(CC(=O)OC(C)(C)C)ccc1NC(=O)Nc1ccccc1OCc1ccccc1.
What is the InChIKey of tert-butyl 2-[3-methoxy-4-[(2-phenylmethoxyphenyl)carbamoylamino]phenyl]acetate?
The InChIKey is FHOVJBMHSJFVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O5/c1-27(2,3)34-25(30)17-20-14-15-22(24(16-20)32-4)29-26(31)28-21-12-8-9-13-23(21)33-18-19-10-6-5-7-11-19/h5-16H,17-18H2,1-4H3,(H2,28,29,31).
What are the key properties of tert-butyl 2-[3-methoxy-4-[(2-phenylmethoxyphenyl)carbamoylamino]phenyl]acetate?
tert-butyl 2-[3-methoxy-4-[(2-phenylmethoxyphenyl)carbamoylamino]phenyl]acetate has a molecular weight of 462.55 g/mol, XLogP of 5.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-methoxy-4-[(2-phenylmethoxyphenyl)carbamoylamino]phenyl]acetate is sourced from PubChem (CID 23511829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).