[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

C26H28N3O+ — CID 2404201

IUPAC[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESCCn1c2ccccc2c2cc(NC(=O)C[NH2+][C@H]3CCCc4ccccc43)ccc21
InChIInChI=1S/C26H27N3O/c1-2-29-24-13-6-5-11-21(24)22-16-19(14-15-25(22)29)28-26(30)17-27-23-12-7-9-18-8-3-4-10-20(18)23/h3-6,8,10-11,13-16,23,27H,2,7,9,12,17H2,1H3,(H,28,30)/p+1/t23-/m0/s1
InChIKeySMGCMMDEJAVPAE-QHCPKHFHSA-O
MW398.53 g/mol
LogP4.39
Rot. Bonds5

About [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (PubChem CID 2404201) has the molecular formula C26H28N3O+ and a molecular weight of 398.53 g/mol. Its IUPAC name is [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.

Molecular Properties

Compound Name[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
PubChem CID2404201
Molecular FormulaC26H28N3O+
Molecular Weight398.53 g/mol
Exact Mass398.22
IUPAC Name[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESCCn1c2ccccc2c2cc(NC(=O)C[NH2+][C@H]3CCCc4ccccc43)ccc21
InChIInChI=1S/C26H27N3O/c1-2-29-24-13-6-5-11-21(24)22-16-19(14-15-25(22)29)28-26(30)17-27-23-12-7-9-18-8-3-4-10-20(18)23/h3-6,8,10-11,13-16,23,27H,2,7,9,12,17H2,1H3,(H,28,30)/p+1/t23-/m0/s1
InChIKeySMGCMMDEJAVPAE-QHCPKHFHSA-O
XLogP4.39
TPSA50.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium with MolForge

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Related Compounds

[2-(4-tert-butylanilino)-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 7937431
[2-[3,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 2404923
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 22458850
N-(9-ethylcarbazol-3-yl)-2-(oxiran-2-ylmethylamino)acetamide
CID 22458845
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(9-ethylcarbazol-3-yl)acetamide
CID 2463764
trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 2321929
N-(9-ethylcarbazol-3-yl)-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
CID 27248278
1-acetyl-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide
CID 17127014
3-amino-N-(9-ethylcarbazol-3-yl)-3-methylbutanamide
CID 167911197
5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
CID 3498432
ethyl 1-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 2421643

Frequently Asked Questions

What is the IUPAC name of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The IUPAC name of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (CID 2404201) is [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.
What is the SMILES notation for [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The canonical SMILES for [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is CCn1c2ccccc2c2cc(NC(=O)C[NH2+][C@H]3CCCc4ccccc43)ccc21.
What is the InChIKey of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The InChIKey is SMGCMMDEJAVPAE-QHCPKHFHSA-O. The full InChI is InChI=1S/C26H27N3O/c1-2-29-24-13-6-5-11-21(24)22-16-19(14-15-25(22)29)28-26(30)17-27-23-12-7-9-18-8-3-4-10-20(18)23/h3-6,8,10-11,13-16,23,27H,2,7,9,12,17H2,1H3,(H,28,30)/p+1/t23-/m0/s1.
What are the key properties of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium has a molecular weight of 398.53 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is sourced from PubChem (CID 2404201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).