tert-butyl N-(2,6,6,9-tetramethyl-8-phenylmethoxybenzo[c]chromen-3-yl)carbamate

C29H33NO4 — CID 170744484

IUPACtert-butyl N-(2,6,6,9-tetramethyl-8-phenylmethoxybenzo[c]chromen-3-yl)carbamate
SMILESCc1cc2c(cc1NC(=O)OC(C)(C)C)OC(C)(C)c1cc(OCc3ccccc3)c(C)cc1-2
InChIInChI=1S/C29H33NO4/c1-18-13-22-21-14-19(2)25(32-17-20-11-9-8-10-12-20)15-23(21)29(6,7)33-26(22)16-24(18)30-27(31)34-28(3,4)5/h8-16H,17H2,1-7H3,(H,30,31)
InChIKeyPNXDLISBVLZRNQ-UHFFFAOYSA-N
MW459.59 g/mol
LogP7.52
Rot. Bonds4

About tert-butyl N-(2,6,6,9-tetramethyl-8-phenylmethoxybenzo[c]chromen-3-yl)carbamate

tert-butyl N-(2,6,6,9-tetramethyl-8-phenylmethoxybenzo[c]chromen-3-yl)carbamate (PubChem CID 170744484) has the molecular formula C29H33NO4 and a molecular weight of 459.59 g/mol. Its IUPAC name is tert-butyl N-(2,6,6,9-tetramethyl-8-phenylmethoxybenzo[c]chromen-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,6,6,9-tetramethyl-8-phenylmethoxybenzo[c]chromen-3-yl)carbamate
PubChem CID170744484
Molecular FormulaC29H33NO4
Molecular Weight459.59 g/mol
Exact Mass459.24
IUPAC Nametert-butyl N-(2,6,6,9-tetramethyl-8-phenylmethoxybenzo[c]chromen-3-yl)carbamate
SMILESCc1cc2c(cc1NC(=O)OC(C)(C)C)OC(C)(C)c1cc(OCc3ccccc3)c(C)cc1-2
InChIInChI=1S/C29H33NO4/c1-18-13-22-21-14-19(2)25(32-17-20-11-9-8-10-12-20)15-23(21)29(6,7)33-26(22)16-24(18)30-27(31)34-28(3,4)5/h8-16H,17H2,1-7H3,(H,30,31)
InChIKeyPNXDLISBVLZRNQ-UHFFFAOYSA-N
XLogP7.52
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(2,6,6,9-tetramethyl-8-phenylmethoxybenzo[c]chromen-3-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoic acid
CID 54328163
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoate
CID 54325649
tert-butyl N-(2-hydroxy-4-phenylmethoxyphenyl)carbamate
CID 58020516
tert-butyl N-(6-methyl-5-phenylmethoxy-3-pyridinyl)carbamate
CID 166524697
9-ethyl-2-methyl-3,8-bis(phenylmethoxy)spiro[benzo[c]chromene-6,1'-cyclobutane]
CID 170744452
2-ethyl-9-methyl-3,8-bis(phenylmethoxy)spiro[benzo[c]chromene-6,1'-cyclobutane]
CID 170744454
tert-butyl N-(5-iodo-8-phenylmethoxyquinolin-6-yl)carbamate
CID 22053399
tert-butyl N-(3-fluoro-4-phenylmethoxynaphthalen-2-yl)carbamate
CID 171099839
tert-butyl N-(2-methyl-7-phenylmethoxy-1,3-benzoxazol-5-yl)carbamate;ethane
CID 154664763
ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypyridine-3-carboxylate
CID 71144248
1-O-tert-butyl 2-O-methyl 4-bromo-5-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenylmethoxyindole-1,2-dicarboxylate
CID 11082404
2,4-difluoro-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxybenzoic acid
CID 23130265

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,6,6,9-tetramethyl-8-phenylmethoxybenzo[c]chromen-3-yl)carbamate?
The IUPAC name of tert-butyl N-(2,6,6,9-tetramethyl-8-phenylmethoxybenzo[c]chromen-3-yl)carbamate (CID 170744484) is tert-butyl N-(2,6,6,9-tetramethyl-8-phenylmethoxybenzo[c]chromen-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2,6,6,9-tetramethyl-8-phenylmethoxybenzo[c]chromen-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(2,6,6,9-tetramethyl-8-phenylmethoxybenzo[c]chromen-3-yl)carbamate is Cc1cc2c(cc1NC(=O)OC(C)(C)C)OC(C)(C)c1cc(OCc3ccccc3)c(C)cc1-2.
What is the InChIKey of tert-butyl N-(2,6,6,9-tetramethyl-8-phenylmethoxybenzo[c]chromen-3-yl)carbamate?
The InChIKey is PNXDLISBVLZRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO4/c1-18-13-22-21-14-19(2)25(32-17-20-11-9-8-10-12-20)15-23(21)29(6,7)33-26(22)16-24(18)30-27(31)34-28(3,4)5/h8-16H,17H2,1-7H3,(H,30,31).
What are the key properties of tert-butyl N-(2,6,6,9-tetramethyl-8-phenylmethoxybenzo[c]chromen-3-yl)carbamate?
tert-butyl N-(2,6,6,9-tetramethyl-8-phenylmethoxybenzo[c]chromen-3-yl)carbamate has a molecular weight of 459.59 g/mol, XLogP of 7.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,6,6,9-tetramethyl-8-phenylmethoxybenzo[c]chromen-3-yl)carbamate is sourced from PubChem (CID 170744484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).