[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] adamantane-1-carboxylate

C27H30N2O3 — CID 23990804

IUPAC[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] adamantane-1-carboxylate
SMILESCCn1c2ccccc2c2cc(NC(=O)COC(=O)C34CC5CC(CC(C5)C3)C4)ccc21
InChIInChI=1S/C27H30N2O3/c1-2-29-23-6-4-3-5-21(23)22-12-20(7-8-24(22)29)28-25(30)16-32-26(31)27-13-17-9-18(14-27)11-19(10-17)15-27/h3-8,12,17-19H,2,9-11,13-16H2,1H3,(H,28,30)
InChIKeyAOSFUAQWBRDGNM-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.51
Rot. Bonds5

About [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] adamantane-1-carboxylate

[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] adamantane-1-carboxylate (PubChem CID 23990804) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] adamantane-1-carboxylate.

Molecular Properties

Compound Name[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] adamantane-1-carboxylate
PubChem CID23990804
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] adamantane-1-carboxylate
SMILESCCn1c2ccccc2c2cc(NC(=O)COC(=O)C34CC5CC(CC(C5)C3)C4)ccc21
InChIInChI=1S/C27H30N2O3/c1-2-29-23-6-4-3-5-21(23)22-12-20(7-8-24(22)29)28-25(30)16-32-26(31)27-13-17-9-18(14-27)11-19(10-17)15-27/h3-8,12,17-19H,2,9-11,13-16H2,1H3,(H,28,30)
InChIKeyAOSFUAQWBRDGNM-UHFFFAOYSA-N
XLogP5.51
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] adamantane-1-carboxylate
CID 4877219
[2-(3-methylanilino)-2-oxoethyl] adamantane-1-carboxylate
CID 4828855
3-amino-N-(9-ethylcarbazol-3-yl)-3-methylbutanamide
CID 167911197
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 3458466
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
[2-[4-(diethylamino)anilino]-2-oxoethyl] adamantane-1-carboxylate
CID 23738204
N-(9-ethylcarbazol-3-yl)-2-(oxiran-2-ylmethylamino)acetamide
CID 22458845
[2-(3-methylsulfanylanilino)-2-oxoethyl] adamantane-1-carboxylate
CID 5056388
2-[carbamoyl(methyl)amino]-N-(9-ethylcarbazol-3-yl)acetamide
CID 9400428
N-(9-ethylcarbazol-3-yl)-2-naphthalen-2-yloxyacetamide
CID 3107361
[2-(naphthalen-1-ylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 7867122
trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 2321929

Frequently Asked Questions

What is the IUPAC name of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] adamantane-1-carboxylate?
The IUPAC name of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] adamantane-1-carboxylate (CID 23990804) is [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] adamantane-1-carboxylate.
What is the SMILES notation for [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] adamantane-1-carboxylate?
The canonical SMILES for [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] adamantane-1-carboxylate is CCn1c2ccccc2c2cc(NC(=O)COC(=O)C34CC5CC(CC(C5)C3)C4)ccc21.
What is the InChIKey of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] adamantane-1-carboxylate?
The InChIKey is AOSFUAQWBRDGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-2-29-23-6-4-3-5-21(23)22-12-20(7-8-24(22)29)28-25(30)16-32-26(31)27-13-17-9-18(14-27)11-19(10-17)15-27/h3-8,12,17-19H,2,9-11,13-16H2,1H3,(H,28,30).
What are the key properties of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] adamantane-1-carboxylate?
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] adamantane-1-carboxylate has a molecular weight of 430.55 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] adamantane-1-carboxylate is sourced from PubChem (CID 23990804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).