(1S)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide

C19H26N2O — CID 31644447

IUPAC(1S)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCc1ccccc1CN1CCCC1)[C@@H]1CC=CCC1
InChIInChI=1S/C19H26N2O/c22-19(16-8-2-1-3-9-16)20-14-17-10-4-5-11-18(17)15-21-12-6-7-13-21/h1-2,4-5,10-11,16H,3,6-9,12-15H2,(H,20,22)/t16-/m1/s1
InChIKeyGJGDXYVMUMRGIG-MRXNPFEDSA-N
MW298.43 g/mol
LogP3.25
Rot. Bonds5

About (1S)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide

(1S)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 31644447) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is (1S)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
PubChem CID31644447
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name(1S)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCc1ccccc1CN1CCCC1)[C@@H]1CC=CCC1
InChIInChI=1S/C19H26N2O/c22-19(16-8-2-1-3-9-16)20-14-17-10-4-5-11-18(17)15-21-12-6-7-13-21/h1-2,4-5,10-11,16H,3,6-9,12-15H2,(H,20,22)/t16-/m1/s1
InChIKeyGJGDXYVMUMRGIG-MRXNPFEDSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 42944706
(1S)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 99845328
(1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 9401002
(1R)-N-[[2-(methoxymethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 32601690
N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 42916560
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119836564
(3S)-1,1-dioxo-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiolane-3-carboxamide
CID 95254525
(1S)-N-[[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 95986165
(3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 94434549
N-[2-(morpholin-4-ylmethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 131915701
1-cyclohexyl-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 94453343
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119836618

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide (CID 31644447) is (1S)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide is O=C(NCc1ccccc1CN1CCCC1)[C@@H]1CC=CCC1.
What is the InChIKey of (1S)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is GJGDXYVMUMRGIG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N2O/c22-19(16-8-2-1-3-9-16)20-14-17-10-4-5-11-18(17)15-21-12-6-7-13-21/h1-2,4-5,10-11,16H,3,6-9,12-15H2,(H,20,22)/t16-/m1/s1.
What are the key properties of (1S)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide?
(1S)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 31644447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).