N-[4-(azepan-1-yl)phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide

C19H26N2O — CID 9279041

IUPACN-[4-(azepan-1-yl)phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
SMILESO=C(C[C@H]1C=CCC1)Nc1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C19H26N2O/c22-19(15-16-7-3-4-8-16)20-17-9-11-18(12-10-17)21-13-5-1-2-6-14-21/h3,7,9-12,16H,1-2,4-6,8,13-15H2,(H,20,22)/t16-/m0/s1
InChIKeyUNXQVIBSFNDBGD-INIZCTEOSA-N
MW298.43 g/mol
LogP4.36
Rot. Bonds4

About N-[4-(azepan-1-yl)phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide

N-[4-(azepan-1-yl)phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide (PubChem CID 9279041) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[4-(azepan-1-yl)phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(azepan-1-yl)phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
PubChem CID9279041
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN-[4-(azepan-1-yl)phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
SMILESO=C(C[C@H]1C=CCC1)Nc1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C19H26N2O/c22-19(15-16-7-3-4-8-16)20-17-9-11-18(12-10-17)21-13-5-1-2-6-14-21/h3,7,9-12,16H,1-2,4-6,8,13-15H2,(H,20,22)/t16-/m0/s1
InChIKeyUNXQVIBSFNDBGD-INIZCTEOSA-N
XLogP4.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-cyclopent-2-en-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 43041645
2-cyclopent-2-en-1-yl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 42932786
2-cyclopent-2-en-1-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 46820855
2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110862088
2-(oxolan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110696650
2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[4-(azepan-1-yl)phenyl]acetamide
CID 166024724
2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110425035
2-(azetidin-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 64617395
2-(1-methylpiperidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110862093
3-(cyclopentylamino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109013734
2-[(1R)-cyclohex-2-en-1-yl]-N-phenylacetamide
CID 102462286
2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 42335959

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-yl)phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
The IUPAC name of N-[4-(azepan-1-yl)phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide (CID 9279041) is N-[4-(azepan-1-yl)phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide.
What is the SMILES notation for N-[4-(azepan-1-yl)phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
The canonical SMILES for N-[4-(azepan-1-yl)phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide is O=C(C[C@H]1C=CCC1)Nc1ccc(N2CCCCCC2)cc1.
What is the InChIKey of N-[4-(azepan-1-yl)phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
The InChIKey is UNXQVIBSFNDBGD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N2O/c22-19(15-16-7-3-4-8-16)20-17-9-11-18(12-10-17)21-13-5-1-2-6-14-21/h3,7,9-12,16H,1-2,4-6,8,13-15H2,(H,20,22)/t16-/m0/s1.
What are the key properties of N-[4-(azepan-1-yl)phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
N-[4-(azepan-1-yl)phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide has a molecular weight of 298.43 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-yl)phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide is sourced from PubChem (CID 9279041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).