benzyl N-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamate

C28H23N3O4 — CID 66605755

IUPACbenzyl N-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamate
SMILESCOc1cccc(-c2cc(C(N)=O)c3[nH]c4cc(NC(=O)OCc5ccccc5)ccc4c3c2)c1
InChIInChI=1S/C28H23N3O4/c1-34-21-9-5-8-18(12-21)19-13-23-22-11-10-20(15-25(22)31-26(23)24(14-19)27(29)32)30-28(33)35-16-17-6-3-2-4-7-17/h2-15,31H,16H2,1H3,(H2,29,32)(H,30,33)
InChIKeyWKPHPYZQRMVDQR-UHFFFAOYSA-N
MW465.51 g/mol
LogP5.84
Rot. Bonds6

About benzyl N-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamate

benzyl N-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamate (PubChem CID 66605755) has the molecular formula C28H23N3O4 and a molecular weight of 465.51 g/mol. Its IUPAC name is benzyl N-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamate
PubChem CID66605755
Molecular FormulaC28H23N3O4
Molecular Weight465.51 g/mol
Exact Mass465.17
IUPAC Namebenzyl N-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamate
SMILESCOc1cccc(-c2cc(C(N)=O)c3[nH]c4cc(NC(=O)OCc5ccccc5)ccc4c3c2)c1
InChIInChI=1S/C28H23N3O4/c1-34-21-9-5-8-18(12-21)19-13-23-22-11-10-20(15-25(22)31-26(23)24(14-19)27(29)32)30-28(33)35-16-17-6-3-2-4-7-17/h2-15,31H,16H2,1H3,(H2,29,32)(H,30,33)
InChIKeyWKPHPYZQRMVDQR-UHFFFAOYSA-N
XLogP5.84
TPSA106.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.51
LogP ≤ 55.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-aminoethyl-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamic acid
CID 66604202
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
(3-methoxyphenyl)methyl N-(4-nitrophenyl)carbamate
CID 118367349
benzyl N-(4-amino-3-methoxyphenyl)carbamate
CID 154476991
(3-methoxyphenyl)methyl N-[4-(aminomethyl)phenyl]carbamate
CID 43309306
(3-methoxyphenyl)methyl N-(4-aminophenyl)carbamate
CID 43469136
benzyl N-[8-carbamoyl-5-[2-methyl-3-(3-oxo-1H-isoindol-2-yl)phenyl]-9H-carbazol-2-yl]carbamate
CID 59374998
benzyl N-(2-carbamoyl-4,6-dimethoxyphenyl)carbamate
CID 70300379
benzyl N-[(3-methoxyphenyl)methyl]carbamate
CID 110779928
benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate
CID 11176634
3-methoxy-5-(phenylmethoxycarbonylamino)benzoic acid
CID 68546183
benzyl N-[3-(4-aminophenyl)phenyl]carbamate;hydrochloride
CID 76853740

Frequently Asked Questions

What is the IUPAC name of benzyl N-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamate?
The IUPAC name of benzyl N-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamate (CID 66605755) is benzyl N-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamate.
What is the SMILES notation for benzyl N-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamate?
The canonical SMILES for benzyl N-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamate is COc1cccc(-c2cc(C(N)=O)c3[nH]c4cc(NC(=O)OCc5ccccc5)ccc4c3c2)c1.
What is the InChIKey of benzyl N-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamate?
The InChIKey is WKPHPYZQRMVDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O4/c1-34-21-9-5-8-18(12-21)19-13-23-22-11-10-20(15-25(22)31-26(23)24(14-19)27(29)32)30-28(33)35-16-17-6-3-2-4-7-17/h2-15,31H,16H2,1H3,(H2,29,32)(H,30,33).
What are the key properties of benzyl N-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamate?
benzyl N-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamate has a molecular weight of 465.51 g/mol, XLogP of 5.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamate is sourced from PubChem (CID 66605755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).