(4-ethoxyphenyl)methyl N-(2,2-dimethyl-8-phenylchromen-6-yl)carbamate

C27H27NO4 — CID 59711015

IUPAC(4-ethoxyphenyl)methyl N-(2,2-dimethyl-8-phenylchromen-6-yl)carbamate
SMILESCCOc1ccc(COC(=O)Nc2cc3c(c(-c4ccccc4)c2)OC(C)(C)C=C3)cc1
InChIInChI=1S/C27H27NO4/c1-4-30-23-12-10-19(11-13-23)18-31-26(29)28-22-16-21-14-15-27(2,3)32-25(21)24(17-22)20-8-6-5-7-9-20/h5-17H,4,18H2,1-3H3,(H,28,29)
InChIKeyNMAAMTUFVPHOHR-UHFFFAOYSA-N
MW429.52 g/mol
LogP6.69
Rot. Bonds6

About (4-ethoxyphenyl)methyl N-(2,2-dimethyl-8-phenylchromen-6-yl)carbamate

(4-ethoxyphenyl)methyl N-(2,2-dimethyl-8-phenylchromen-6-yl)carbamate (PubChem CID 59711015) has the molecular formula C27H27NO4 and a molecular weight of 429.52 g/mol. Its IUPAC name is (4-ethoxyphenyl)methyl N-(2,2-dimethyl-8-phenylchromen-6-yl)carbamate.

Molecular Properties

Compound Name(4-ethoxyphenyl)methyl N-(2,2-dimethyl-8-phenylchromen-6-yl)carbamate
PubChem CID59711015
Molecular FormulaC27H27NO4
Molecular Weight429.52 g/mol
Exact Mass429.19
IUPAC Name(4-ethoxyphenyl)methyl N-(2,2-dimethyl-8-phenylchromen-6-yl)carbamate
SMILESCCOc1ccc(COC(=O)Nc2cc3c(c(-c4ccccc4)c2)OC(C)(C)C=C3)cc1
InChIInChI=1S/C27H27NO4/c1-4-30-23-12-10-19(11-13-23)18-31-26(29)28-22-16-21-14-15-27(2,3)32-25(21)24(17-22)20-8-6-5-7-9-20/h5-17H,4,18H2,1-3H3,(H,28,29)
InChIKeyNMAAMTUFVPHOHR-UHFFFAOYSA-N
XLogP6.69
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-8-phenylchromen-6-amine;(4-ethoxyphenyl)methyl N-(2,2-dimethyl-8-phenylchromen-6-yl)carbamate;(4-ethoxyphenyl)methyl (4-nitrophenyl) carbonate;phosphane
CID 161003983
(2S)-3-(4-ethoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 10736143
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
benzyl N-[(2S)-1-(4-ethoxyphenyl)-3-hydroxypropan-2-yl]carbamate
CID 15222817
propyl N-(4-phenylmethoxyphenyl)carbamate
CID 19169909
benzyl N-(4-prop-2-enoxyphenyl)carbamate
CID 4952532
(4-ethoxyphenyl)methyl benzoate
CID 91595481
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
[4-(phenylcarbamoyl)phenyl]methyl 2-(4-ethoxyphenyl)acetate
CID 18226760
benzyl N-[1-(4-ethoxyanilino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 5025804
(E)-N-(4-methoxyphenyl)-3-[8-(3-methoxyphenyl)-2,2-dimethylchromen-6-yl]prop-2-enamide
CID 168864585
benzyl N-[4-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]phenyl]carbamate
CID 22861306

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)methyl N-(2,2-dimethyl-8-phenylchromen-6-yl)carbamate?
The IUPAC name of (4-ethoxyphenyl)methyl N-(2,2-dimethyl-8-phenylchromen-6-yl)carbamate (CID 59711015) is (4-ethoxyphenyl)methyl N-(2,2-dimethyl-8-phenylchromen-6-yl)carbamate.
What is the SMILES notation for (4-ethoxyphenyl)methyl N-(2,2-dimethyl-8-phenylchromen-6-yl)carbamate?
The canonical SMILES for (4-ethoxyphenyl)methyl N-(2,2-dimethyl-8-phenylchromen-6-yl)carbamate is CCOc1ccc(COC(=O)Nc2cc3c(c(-c4ccccc4)c2)OC(C)(C)C=C3)cc1.
What is the InChIKey of (4-ethoxyphenyl)methyl N-(2,2-dimethyl-8-phenylchromen-6-yl)carbamate?
The InChIKey is NMAAMTUFVPHOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO4/c1-4-30-23-12-10-19(11-13-23)18-31-26(29)28-22-16-21-14-15-27(2,3)32-25(21)24(17-22)20-8-6-5-7-9-20/h5-17H,4,18H2,1-3H3,(H,28,29).
What are the key properties of (4-ethoxyphenyl)methyl N-(2,2-dimethyl-8-phenylchromen-6-yl)carbamate?
(4-ethoxyphenyl)methyl N-(2,2-dimethyl-8-phenylchromen-6-yl)carbamate has a molecular weight of 429.52 g/mol, XLogP of 6.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)methyl N-(2,2-dimethyl-8-phenylchromen-6-yl)carbamate is sourced from PubChem (CID 59711015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).