(9-ethylcarbazol-3-yl)methyl N-benzylcarbamate

C23H22N2O2 — CID 143174353

IUPAC(9-ethylcarbazol-3-yl)methyl N-benzylcarbamate
SMILESCCn1c2ccccc2c2cc(COC(=O)NCc3ccccc3)ccc21
InChIInChI=1S/C23H22N2O2/c1-2-25-21-11-7-6-10-19(21)20-14-18(12-13-22(20)25)16-27-23(26)24-15-17-8-4-3-5-9-17/h3-14H,2,15-16H2,1H3,(H,24,26)
InChIKeyFYZMMEGKUYFOCW-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.24
Rot. Bonds5

About (9-ethylcarbazol-3-yl)methyl N-benzylcarbamate

(9-ethylcarbazol-3-yl)methyl N-benzylcarbamate (PubChem CID 143174353) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is (9-ethylcarbazol-3-yl)methyl N-benzylcarbamate.

Molecular Properties

Compound Name(9-ethylcarbazol-3-yl)methyl N-benzylcarbamate
PubChem CID143174353
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name(9-ethylcarbazol-3-yl)methyl N-benzylcarbamate
SMILESCCn1c2ccccc2c2cc(COC(=O)NCc3ccccc3)ccc21
InChIInChI=1S/C23H22N2O2/c1-2-25-21-11-7-6-10-19(21)20-14-18(12-13-22(20)25)16-27-23(26)24-15-17-8-4-3-5-9-17/h3-14H,2,15-16H2,1H3,(H,24,26)
InChIKeyFYZMMEGKUYFOCW-UHFFFAOYSA-N
XLogP5.24
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethylphenyl)methyl N-benzylcarbamate
CID 174484716
N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide
CID 70245099
2-(9-ethylcarbazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 11110676
N-[(9-ethylcarbazol-3-yl)methyl]prop-2-enamide
CID 70174564
benzyl N-[(4-ethylphenyl)methyl]carbamate;carbon dioxide
CID 161469953
2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid
CID 66527507
(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid
CID 99124071
benzene;ethyl N-benzylcarbamate
CID 67715166
benzyl N-[(4-ethylsulfonylphenyl)methyl]carbamate
CID 110784595
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
4-(phenylmethoxycarbonylaminomethyl)benzoic acid
CID 1479997
(4-propan-2-ylphenyl)methyl N-benzylcarbamate
CID 141057085

Frequently Asked Questions

What is the IUPAC name of (9-ethylcarbazol-3-yl)methyl N-benzylcarbamate?
The IUPAC name of (9-ethylcarbazol-3-yl)methyl N-benzylcarbamate (CID 143174353) is (9-ethylcarbazol-3-yl)methyl N-benzylcarbamate.
What is the SMILES notation for (9-ethylcarbazol-3-yl)methyl N-benzylcarbamate?
The canonical SMILES for (9-ethylcarbazol-3-yl)methyl N-benzylcarbamate is CCn1c2ccccc2c2cc(COC(=O)NCc3ccccc3)ccc21.
What is the InChIKey of (9-ethylcarbazol-3-yl)methyl N-benzylcarbamate?
The InChIKey is FYZMMEGKUYFOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-2-25-21-11-7-6-10-19(21)20-14-18(12-13-22(20)25)16-27-23(26)24-15-17-8-4-3-5-9-17/h3-14H,2,15-16H2,1H3,(H,24,26).
What are the key properties of (9-ethylcarbazol-3-yl)methyl N-benzylcarbamate?
(9-ethylcarbazol-3-yl)methyl N-benzylcarbamate has a molecular weight of 358.44 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-ethylcarbazol-3-yl)methyl N-benzylcarbamate is sourced from PubChem (CID 143174353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).