N-[[3-[(cyclopent-3-ene-1-carbonylamino)methyl]phenyl]methyl]cyclopent-3-ene-1-carboxamide

C20H24N2O2 — CID 75437000

IUPACN-[[3-[(cyclopent-3-ene-1-carbonylamino)methyl]phenyl]methyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(NCc1cccc(CNC(=O)C2CC=CC2)c1)C1CC=CC1
InChIInChI=1S/C20H24N2O2/c23-19(17-8-1-2-9-17)21-13-15-6-5-7-16(12-15)14-22-20(24)18-10-3-4-11-18/h1-7,12,17-18H,8-11,13-14H2,(H,21,23)(H,22,24)
InChIKeyYQWMQXALDDRWPP-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.85
Rot. Bonds6

About N-[[3-[(cyclopent-3-ene-1-carbonylamino)methyl]phenyl]methyl]cyclopent-3-ene-1-carboxamide

N-[[3-[(cyclopent-3-ene-1-carbonylamino)methyl]phenyl]methyl]cyclopent-3-ene-1-carboxamide (PubChem CID 75437000) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[[3-[(cyclopent-3-ene-1-carbonylamino)methyl]phenyl]methyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[[3-[(cyclopent-3-ene-1-carbonylamino)methyl]phenyl]methyl]cyclopent-3-ene-1-carboxamide
PubChem CID75437000
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[[3-[(cyclopent-3-ene-1-carbonylamino)methyl]phenyl]methyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(NCc1cccc(CNC(=O)C2CC=CC2)c1)C1CC=CC1
InChIInChI=1S/C20H24N2O2/c23-19(17-8-1-2-9-17)21-13-15-6-5-7-16(12-15)14-22-20(24)18-10-3-4-11-18/h1-7,12,17-18H,8-11,13-14H2,(H,21,23)(H,22,24)
InChIKeyYQWMQXALDDRWPP-UHFFFAOYSA-N
XLogP2.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromophenyl)methyl]cyclopent-3-ene-1-carboxamide
CID 64767366
N-[(3-sulfamoylphenyl)methyl]cyclopent-3-ene-1-carboxamide
CID 64766763
6-formyl-N-[[3-[[(6-formylcyclohex-3-ene-1-carbonyl)amino]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 88882210
N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106892179
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
(1R)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 125447493
cumene;N-[(3-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 159103877
(1S,5R)-N-benzyl-5-hydroxycyclohex-3-ene-1-carboxamide
CID 86334449
(1S,6R)-6-amino-N-[(3-phenoxyphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 167936736
N-[3-[(cyclohex-3-ene-1-carbonylamino)methyl]phenyl]-4-fluorobenzamide
CID 55894282
N-[(2R)-butan-2-yl]-3-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]benzamide
CID 94181986
5-[(cyclopent-3-ene-1-carbonylamino)methyl]pyridine-2-carboxylic acid
CID 81099202

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(cyclopent-3-ene-1-carbonylamino)methyl]phenyl]methyl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[[3-[(cyclopent-3-ene-1-carbonylamino)methyl]phenyl]methyl]cyclopent-3-ene-1-carboxamide (CID 75437000) is N-[[3-[(cyclopent-3-ene-1-carbonylamino)methyl]phenyl]methyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[[3-[(cyclopent-3-ene-1-carbonylamino)methyl]phenyl]methyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[[3-[(cyclopent-3-ene-1-carbonylamino)methyl]phenyl]methyl]cyclopent-3-ene-1-carboxamide is O=C(NCc1cccc(CNC(=O)C2CC=CC2)c1)C1CC=CC1.
What is the InChIKey of N-[[3-[(cyclopent-3-ene-1-carbonylamino)methyl]phenyl]methyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is YQWMQXALDDRWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-19(17-8-1-2-9-17)21-13-15-6-5-7-16(12-15)14-22-20(24)18-10-3-4-11-18/h1-7,12,17-18H,8-11,13-14H2,(H,21,23)(H,22,24).
What are the key properties of N-[[3-[(cyclopent-3-ene-1-carbonylamino)methyl]phenyl]methyl]cyclopent-3-ene-1-carboxamide?
N-[[3-[(cyclopent-3-ene-1-carbonylamino)methyl]phenyl]methyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(cyclopent-3-ene-1-carbonylamino)methyl]phenyl]methyl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 75437000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).