2-aminoethyl-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamic acid

C23H22N4O4 — CID 66604202

IUPAC2-aminoethyl-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamic acid
SMILESCOc1cccc(-c2cc(C(N)=O)c3[nH]c4cc(N(CCN)C(=O)O)ccc4c3c2)c1
InChIInChI=1S/C23H22N4O4/c1-31-16-4-2-3-13(9-16)14-10-18-17-6-5-15(27(8-7-24)23(29)30)12-20(17)26-21(18)19(11-14)22(25)28/h2-6,9-12,26H,7-8,24H2,1H3,(H2,25,28)(H,29,30)
InChIKeyADNFHXWSPLEGGJ-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.54
Rot. Bonds6

About 2-aminoethyl-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamic acid

2-aminoethyl-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamic acid (PubChem CID 66604202) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-aminoethyl-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamic acid.

Molecular Properties

Compound Name2-aminoethyl-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamic acid
PubChem CID66604202
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name2-aminoethyl-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamic acid
SMILESCOc1cccc(-c2cc(C(N)=O)c3[nH]c4cc(N(CCN)C(=O)O)ccc4c3c2)c1
InChIInChI=1S/C23H22N4O4/c1-31-16-4-2-3-13(9-16)14-10-18-17-6-5-15(27(8-7-24)23(29)30)12-20(17)26-21(18)19(11-14)22(25)28/h2-6,9-12,26H,7-8,24H2,1H3,(H2,25,28)(H,29,30)
InChIKeyADNFHXWSPLEGGJ-UHFFFAOYSA-N
XLogP3.54
TPSA134.67 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamate
CID 66605755
7-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]-3-(3-methoxyphenyl)-9H-carbazole-1-carboxamide
CID 66605279
2,7-bis(3-methoxyphenyl)-9H-carbazole
CID 141312734
1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 71528865
4-[2-(aminomethyl)phenyl]-2-(3-methoxyphenyl)-1H-indole-7-carboxamide
CID 174783705
1-[7-amino-3-(3-methylphenyl)-9H-carbazol-1-yl]ethanone
CID 91566431
3-(3,5-dichloro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
CID 66605846
3-(3-fluoro-4-methoxyphenyl)-7-[2-(hydroxymethyl)morpholine-4-carbonyl]-9H-carbazole-1-carboxamide
CID 66599529
N-(2-aminoethyl)-N-(3,4-dimethoxyphenyl)acetamide
CID 28769902
2-(3-methoxyphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
CID 24809725
6-N-(benzenesulfonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1,6-dicarboxamide
CID 66604859
1-(2-hydroxyethyl)-1-(3-methoxyphenyl)urea
CID 91413546

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamic acid?
The IUPAC name of 2-aminoethyl-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamic acid (CID 66604202) is 2-aminoethyl-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamic acid.
What is the SMILES notation for 2-aminoethyl-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamic acid?
The canonical SMILES for 2-aminoethyl-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamic acid is COc1cccc(-c2cc(C(N)=O)c3[nH]c4cc(N(CCN)C(=O)O)ccc4c3c2)c1.
What is the InChIKey of 2-aminoethyl-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamic acid?
The InChIKey is ADNFHXWSPLEGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-31-16-4-2-3-13(9-16)14-10-18-17-6-5-15(27(8-7-24)23(29)30)12-20(17)26-21(18)19(11-14)22(25)28/h2-6,9-12,26H,7-8,24H2,1H3,(H2,25,28)(H,29,30).
What are the key properties of 2-aminoethyl-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamic acid?
2-aminoethyl-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamic acid has a molecular weight of 418.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamic acid is sourced from PubChem (CID 66604202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).