(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide

C23H35N3O2 — CID 8621914

IUPAC(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
SMILESCc1cc(C)c(NC(=O)CN(C)[C@@H](C)C(=O)NCCC2=CCCCC2)c(C)c1
InChIInChI=1S/C23H35N3O2/c1-16-13-17(2)22(18(3)14-16)25-21(27)15-26(5)19(4)23(28)24-12-11-20-9-7-6-8-10-20/h9,13-14,19H,6-8,10-12,15H2,1-5H3,(H,24,28)(H,25,27)/t19-/m0/s1
InChIKeyGPTNTTJCMSXJOL-IBGZPJMESA-N
MW385.55 g/mol
LogP3.88
Rot. Bonds8

About (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide

(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide (PubChem CID 8621914) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
PubChem CID8621914
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
SMILESCc1cc(C)c(NC(=O)CN(C)[C@@H](C)C(=O)NCCC2=CCCCC2)c(C)c1
InChIInChI=1S/C23H35N3O2/c1-16-13-17(2)22(18(3)14-16)25-21(27)15-26(5)19(4)23(28)24-12-11-20-9-7-6-8-10-20/h9,13-14,19H,6-8,10-12,15H2,1-5H3,(H,24,28)(H,25,27)/t19-/m0/s1
InChIKeyGPTNTTJCMSXJOL-IBGZPJMESA-N
XLogP3.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 8909314
(2S)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 8842766
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4,6-trimethylanilino)acetamide
CID 54811825
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 2235805
N-(ethylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
CID 51167500
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92684033
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylphenyl)acetamide
CID 92682179
(2R)-N-(cyclohexylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
CID 9338305
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 3498774
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2233240
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea
CID 4995212
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 46801955

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide?
The IUPAC name of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide (CID 8621914) is (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide.
What is the SMILES notation for (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide?
The canonical SMILES for (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide is Cc1cc(C)c(NC(=O)CN(C)[C@@H](C)C(=O)NCCC2=CCCCC2)c(C)c1.
What is the InChIKey of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide?
The InChIKey is GPTNTTJCMSXJOL-IBGZPJMESA-N. The full InChI is InChI=1S/C23H35N3O2/c1-16-13-17(2)22(18(3)14-16)25-21(27)15-26(5)19(4)23(28)24-12-11-20-9-7-6-8-10-20/h9,13-14,19H,6-8,10-12,15H2,1-5H3,(H,24,28)(H,25,27)/t19-/m0/s1.
What are the key properties of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide?
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide has a molecular weight of 385.55 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide is sourced from PubChem (CID 8621914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).