CID 144882839

C18H27NO2 — CID 144882839

IUPAC—
SMILES[CH]=CC(=O)/C(C)=C(\C[CH2])N(C)C(=O)C1(CC)CCCCC1
InChIInChI=1S/C18H27NO2/c1-6-15(14(4)16(20)7-2)19(5)17(21)18(8-3)12-10-9-11-13-18/h2,7H,1,6,8-13H2,3-5H3/b7-2?,15-14+
InChIKeyQHUYMEWKOIZBGA-ZJAPBFESSA-N
MW289.42 g/mol
LogP3.86
Rot. Bonds6

About CID 144882839

CID 144882839 (PubChem CID 144882839) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol.

Molecular Properties

Compound NameCID 144882839
PubChem CID144882839
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name—
SMILES[CH]=CC(=O)/C(C)=C(\C[CH2])N(C)C(=O)C1(CC)CCCCC1
InChIInChI=1S/C18H27NO2/c1-6-15(14(4)16(20)7-2)19(5)17(21)18(8-3)12-10-9-11-13-18/h2,7H,1,6,8-13H2,3-5H3/b7-2?,15-14+
InChIKeyQHUYMEWKOIZBGA-ZJAPBFESSA-N
XLogP3.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-[(1R,2R,4E,8E)-2,6,6,9-tetramethyl-3-oxocycloundeca-4,8-dien-1-yl]acetamide
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3-Butyl-5,6-ditert-butyl-1-methylpyridine-2,4-dione
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4-Butyl-6,7-ditert-butyl-1-methyl-3,4-dihydroazepine-2,5-dione
CID 23402607
5,6-Ditert-butyl-1-methyl-3-propylpyridine-2,4-dione
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6,7-Ditert-butyl-1-methyl-4-propyl-3,4-dihydroazepine-2,5-dione
CID 23552346
6,7-Ditert-butyl-1,4-dimethyl-3,4-dihydroazepine-2,5-dione
CID 23592074
2-[(E)-4-methyl-5-oxohex-3-en-3-yl]-2-azaspiro[4.5]decan-1-one
CID 144882861
CID 144882904
CID 144882904
3,7-Dimethyl-1-[2-(4-oxocyclohexyl)ethyl]indole-2,6-dione
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5-[(E)-hex-4-en-2-yl]-1-methyl-6-(2-methylpropanoyl)-3,4-dihydropyridin-2-one
CID 166929772
2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one
CID 144882775
CID 144882916
CID 144882916

Frequently Asked Questions

What is the IUPAC name of CID 144882839?
The IUPAC name of CID 144882839 (CID 144882839) is not available.
What is the SMILES notation for CID 144882839?
The canonical SMILES for CID 144882839 is [CH]=CC(=O)/C(C)=C(\C[CH2])N(C)C(=O)C1(CC)CCCCC1.
What is the InChIKey of CID 144882839?
The InChIKey is QHUYMEWKOIZBGA-ZJAPBFESSA-N. The full InChI is InChI=1S/C18H27NO2/c1-6-15(14(4)16(20)7-2)19(5)17(21)18(8-3)12-10-9-11-13-18/h2,7H,1,6,8-13H2,3-5H3/b7-2?,15-14+.
What are the key properties of CID 144882839?
CID 144882839 has a molecular weight of 289.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144882839 is sourced from PubChem (CID 144882839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).