N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide

C25H30N2O — CID 42944706

IUPACN-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCc1ccccc1-c1ccc(CN2CCCC2)cc1)C1CC=CCC1
InChIInChI=1S/C25H30N2O/c28-25(22-8-2-1-3-9-22)26-18-23-10-4-5-11-24(23)21-14-12-20(13-15-21)19-27-16-6-7-17-27/h1-2,4-5,10-15,22H,3,6-9,16-19H2,(H,26,28)
InChIKeyOCMNFBILGUWEJN-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.92
Rot. Bonds6

About N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide

N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 42944706) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
PubChem CID42944706
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC NameN-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCc1ccccc1-c1ccc(CN2CCCC2)cc1)C1CC=CCC1
InChIInChI=1S/C25H30N2O/c28-25(22-8-2-1-3-9-22)26-18-23-10-4-5-11-24(23)21-14-12-20(13-15-21)19-27-16-6-7-17-27/h1-2,4-5,10-15,22H,3,6-9,16-19H2,(H,26,28)
InChIKeyOCMNFBILGUWEJN-UHFFFAOYSA-N
XLogP4.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.92
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

(1S)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 31644447
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 42943354
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]acetamide
CID 92845510
(1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 9401002
N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 42945062
N-[(1-benzylpiperidin-3-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 47082202
N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 42916560
N-[2-oxo-2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]cyclopentanecarboxamide
CID 86883256
2-methyl-N-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]butanamide
CID 55940350
N-[3-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide
CID 55618585
(1S)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 99845328
(1R)-N-[[2-(methoxymethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 32601690

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide (CID 42944706) is N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide is O=C(NCc1ccccc1-c1ccc(CN2CCCC2)cc1)C1CC=CCC1.
What is the InChIKey of N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is OCMNFBILGUWEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c28-25(22-8-2-1-3-9-22)26-18-23-10-4-5-11-24(23)21-14-12-20(13-15-21)19-27-16-6-7-17-27/h1-2,4-5,10-15,22H,3,6-9,16-19H2,(H,26,28).
What are the key properties of N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide?
N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 42944706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).