(5S,7S)-3-acetamido-N-[2-(1H-indol-3-yl)ethyl]adamantane-1-carboxamide

C23H29N3O2 — CID 98215067

IUPAC(5S,7S)-3-acetamido-N-[2-(1H-indol-3-yl)ethyl]adamantane-1-carboxamide
SMILESCC(=O)NC12C[C@H]3C[C@H](C1)CC(C(=O)NCCc1c[nH]c4ccccc14)(C3)C2
InChIInChI=1S/C23H29N3O2/c1-15(27)26-23-11-16-8-17(12-23)10-22(9-16,14-23)21(28)24-7-6-18-13-25-20-5-3-2-4-19(18)20/h2-5,13,16-17,25H,6-12,14H2,1H3,(H,24,28)(H,26,27)/t16-,17-,22?,23?/m0/s1
InChIKeyBQPIEZTVMVUNPW-PQJGELLGSA-N
MW379.50 g/mol
LogP3.30
Rot. Bonds5

About (5S,7S)-3-acetamido-N-[2-(1H-indol-3-yl)ethyl]adamantane-1-carboxamide

(5S,7S)-3-acetamido-N-[2-(1H-indol-3-yl)ethyl]adamantane-1-carboxamide (PubChem CID 98215067) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is (5S,7S)-3-acetamido-N-[2-(1H-indol-3-yl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound Name(5S,7S)-3-acetamido-N-[2-(1H-indol-3-yl)ethyl]adamantane-1-carboxamide
PubChem CID98215067
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name(5S,7S)-3-acetamido-N-[2-(1H-indol-3-yl)ethyl]adamantane-1-carboxamide
SMILESCC(=O)NC12C[C@H]3C[C@H](C1)CC(C(=O)NCCc1c[nH]c4ccccc14)(C3)C2
InChIInChI=1S/C23H29N3O2/c1-15(27)26-23-11-16-8-17(12-23)10-22(9-16,14-23)21(28)24-7-6-18-13-25-20-5-3-2-4-19(18)20/h2-5,13,16-17,25H,6-12,14H2,1H3,(H,24,28)(H,26,27)/t16-,17-,22?,23?/m0/s1
InChIKeyBQPIEZTVMVUNPW-PQJGELLGSA-N
XLogP3.30
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]bicyclo[1.1.1]pentan-1-amine
CID 167072734
1-N'-[2-(dimethylamino)ethyl]-1-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108973434
N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 172894557
1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 39058421
3-acetyl-N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide
CID 131661643
(1S,6S)-N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide
CID 98783268
1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119263383
1-N-[2-(1H-indol-3-yl)ethyl]-1-N'-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108978254
3-amino-N-[2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide
CID 64893613
1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
CID 91330877
N-[2-(1H-indol-3-yl)ethyl]-2-piperidin-4-ylacetamide
CID 61258585
1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclobutane-1-carboxamide
CID 110438229

Frequently Asked Questions

What is the IUPAC name of (5S,7S)-3-acetamido-N-[2-(1H-indol-3-yl)ethyl]adamantane-1-carboxamide?
The IUPAC name of (5S,7S)-3-acetamido-N-[2-(1H-indol-3-yl)ethyl]adamantane-1-carboxamide (CID 98215067) is (5S,7S)-3-acetamido-N-[2-(1H-indol-3-yl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for (5S,7S)-3-acetamido-N-[2-(1H-indol-3-yl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for (5S,7S)-3-acetamido-N-[2-(1H-indol-3-yl)ethyl]adamantane-1-carboxamide is CC(=O)NC12C[C@H]3C[C@H](C1)CC(C(=O)NCCc1c[nH]c4ccccc14)(C3)C2.
What is the InChIKey of (5S,7S)-3-acetamido-N-[2-(1H-indol-3-yl)ethyl]adamantane-1-carboxamide?
The InChIKey is BQPIEZTVMVUNPW-PQJGELLGSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-15(27)26-23-11-16-8-17(12-23)10-22(9-16,14-23)21(28)24-7-6-18-13-25-20-5-3-2-4-19(18)20/h2-5,13,16-17,25H,6-12,14H2,1H3,(H,24,28)(H,26,27)/t16-,17-,22?,23?/m0/s1.
What are the key properties of (5S,7S)-3-acetamido-N-[2-(1H-indol-3-yl)ethyl]adamantane-1-carboxamide?
(5S,7S)-3-acetamido-N-[2-(1H-indol-3-yl)ethyl]adamantane-1-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S)-3-acetamido-N-[2-(1H-indol-3-yl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 98215067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).