N-[(1R,6R)-6-formamidocyclohex-3-en-1-yl]-2-methylbenzamide

C15H18N2O2 — CID 89133992

IUPACN-[(1R,6R)-6-formamidocyclohex-3-en-1-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N[C@@H]1CC=CC[C@H]1NC=O
InChIInChI=1S/C15H18N2O2/c1-11-6-2-3-7-12(11)15(19)17-14-9-5-4-8-13(14)16-10-18/h2-7,10,13-14H,8-9H2,1H3,(H,16,18)(H,17,19)/t13-,14-/m1/s1
InChIKeySCEZFFYTOSECKU-ZIAGYGMSSA-N
MW258.32 g/mol
LogP1.56
Rot. Bonds4

About N-[(1R,6R)-6-formamidocyclohex-3-en-1-yl]-2-methylbenzamide

N-[(1R,6R)-6-formamidocyclohex-3-en-1-yl]-2-methylbenzamide (PubChem CID 89133992) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(1R,6R)-6-formamidocyclohex-3-en-1-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(1R,6R)-6-formamidocyclohex-3-en-1-yl]-2-methylbenzamide
PubChem CID89133992
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[(1R,6R)-6-formamidocyclohex-3-en-1-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N[C@@H]1CC=CC[C@H]1NC=O
InChIInChI=1S/C15H18N2O2/c1-11-6-2-3-7-12(11)15(19)17-14-9-5-4-8-13(14)16-10-18/h2-7,10,13-14H,8-9H2,1H3,(H,16,18)(H,17,19)/t13-,14-/m1/s1
InChIKeySCEZFFYTOSECKU-ZIAGYGMSSA-N
XLogP1.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide
CID 979091
N-(2-aminocyclopropyl)-2-methylbenzamide
CID 43593725
2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 804412
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
N-cyclopent-3-en-1-yl-2-hydroxy-3-methylbenzamide
CID 115696804
N-(4-aminocyclohexyl)-2-methylbenzamide
CID 43653114
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide
CID 958830
2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzamide
CID 95983826
4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808371
2-bromo-N-cyclopent-3-en-1-yl-3-methylbenzamide
CID 103855346

Frequently Asked Questions

What is the IUPAC name of N-[(1R,6R)-6-formamidocyclohex-3-en-1-yl]-2-methylbenzamide?
The IUPAC name of N-[(1R,6R)-6-formamidocyclohex-3-en-1-yl]-2-methylbenzamide (CID 89133992) is N-[(1R,6R)-6-formamidocyclohex-3-en-1-yl]-2-methylbenzamide.
What is the SMILES notation for N-[(1R,6R)-6-formamidocyclohex-3-en-1-yl]-2-methylbenzamide?
The canonical SMILES for N-[(1R,6R)-6-formamidocyclohex-3-en-1-yl]-2-methylbenzamide is Cc1ccccc1C(=O)N[C@@H]1CC=CC[C@H]1NC=O.
What is the InChIKey of N-[(1R,6R)-6-formamidocyclohex-3-en-1-yl]-2-methylbenzamide?
The InChIKey is SCEZFFYTOSECKU-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-6-2-3-7-12(11)15(19)17-14-9-5-4-8-13(14)16-10-18/h2-7,10,13-14H,8-9H2,1H3,(H,16,18)(H,17,19)/t13-,14-/m1/s1.
What are the key properties of N-[(1R,6R)-6-formamidocyclohex-3-en-1-yl]-2-methylbenzamide?
N-[(1R,6R)-6-formamidocyclohex-3-en-1-yl]-2-methylbenzamide has a molecular weight of 258.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,6R)-6-formamidocyclohex-3-en-1-yl]-2-methylbenzamide is sourced from PubChem (CID 89133992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).