2-cyclopent-2-en-1-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide

C18H25N3O2 — CID 46456745

IUPAC2-cyclopent-2-en-1-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)CC2C=CCC2)cc1
InChIInChI=1S/C18H25N3O2/c1-13(2)20-18(23)21-16-9-7-15(8-10-16)12-19-17(22)11-14-5-3-4-6-14/h3,5,7-10,13-14H,4,6,11-12H2,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyDIJFZQUKEOWLDY-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.19
Rot. Bonds6

About 2-cyclopent-2-en-1-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide

2-cyclopent-2-en-1-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide (PubChem CID 46456745) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
PubChem CID46456745
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-cyclopent-2-en-1-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)CC2C=CCC2)cc1
InChIInChI=1S/C18H25N3O2/c1-13(2)20-18(23)21-16-9-7-15(8-10-16)12-19-17(22)11-14-5-3-4-6-14/h3,5,7-10,13-14H,4,6,11-12H2,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyDIJFZQUKEOWLDY-UHFFFAOYSA-N
XLogP3.19
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-cyclopent-2-en-1-yl]-N-[3-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 31887404
2-(cyclopropylmethylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 119730358
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119730376
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119730375
2-cyclopent-2-en-1-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 18119482
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 46456841
(2R)-2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 52511671
2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 51123302
3-piperidin-3-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119730353
2-amino-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide;hydrochloride
CID 119293088
3-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 51106744
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119730381

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide (CID 46456745) is 2-cyclopent-2-en-1-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide is CC(C)NC(=O)Nc1ccc(CNC(=O)CC2C=CCC2)cc1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide?
The InChIKey is DIJFZQUKEOWLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(2)20-18(23)21-16-9-7-15(8-10-16)12-19-17(22)11-14-5-3-4-6-14/h3,5,7-10,13-14H,4,6,11-12H2,1-2H3,(H,19,22)(H2,20,21,23).
What are the key properties of 2-cyclopent-2-en-1-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide?
2-cyclopent-2-en-1-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide has a molecular weight of 315.42 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 46456745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).