N-[4-(azepan-1-yl)phenyl]-2-phenylmethoxypropanamide

C22H28N2O2 — CID 55649917

IUPACN-[4-(azepan-1-yl)phenyl]-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)Nc1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C22H28N2O2/c1-18(26-17-19-9-5-4-6-10-19)22(25)23-20-11-13-21(14-12-20)24-15-7-2-3-8-16-24/h4-6,9-14,18H,2-3,7-8,15-17H2,1H3,(H,23,25)
InChIKeyAPNRIJYQEBQLRG-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.61
Rot. Bonds6

About N-[4-(azepan-1-yl)phenyl]-2-phenylmethoxypropanamide

N-[4-(azepan-1-yl)phenyl]-2-phenylmethoxypropanamide (PubChem CID 55649917) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[4-(azepan-1-yl)phenyl]-2-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-[4-(azepan-1-yl)phenyl]-2-phenylmethoxypropanamide
PubChem CID55649917
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[4-(azepan-1-yl)phenyl]-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)Nc1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C22H28N2O2/c1-18(26-17-19-9-5-4-6-10-19)22(25)23-20-11-13-21(14-12-20)24-15-7-2-3-8-16-24/h4-6,9-14,18H,2-3,7-8,15-17H2,1H3,(H,23,25)
InChIKeyAPNRIJYQEBQLRG-UHFFFAOYSA-N
XLogP4.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 51157992
(2S)-2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 94033094
(2S)-2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)propanamide
CID 95288755
N-[4-(hydroxymethyl)phenyl]-2-phenylmethoxypropanamide
CID 64792798
N-(4-pyrrolidin-1-ylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 42960613
(2S)-2-benzylsulfanyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100500248
(2R)-2-(2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550758
benzyl N-[1-[4-(azepan-1-yl)anilino]-4-methylsulfonyl-1-oxobutan-2-yl]carbamate
CID 55791663
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
N-(4-cyanophenyl)-2-phenylmethoxypropanamide
CID 43187551
(2R)-2-(2-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 39126898
2-(2-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166702

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-yl)phenyl]-2-phenylmethoxypropanamide?
The IUPAC name of N-[4-(azepan-1-yl)phenyl]-2-phenylmethoxypropanamide (CID 55649917) is N-[4-(azepan-1-yl)phenyl]-2-phenylmethoxypropanamide.
What is the SMILES notation for N-[4-(azepan-1-yl)phenyl]-2-phenylmethoxypropanamide?
The canonical SMILES for N-[4-(azepan-1-yl)phenyl]-2-phenylmethoxypropanamide is CC(OCc1ccccc1)C(=O)Nc1ccc(N2CCCCCC2)cc1.
What is the InChIKey of N-[4-(azepan-1-yl)phenyl]-2-phenylmethoxypropanamide?
The InChIKey is APNRIJYQEBQLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-18(26-17-19-9-5-4-6-10-19)22(25)23-20-11-13-21(14-12-20)24-15-7-2-3-8-16-24/h4-6,9-14,18H,2-3,7-8,15-17H2,1H3,(H,23,25).
What are the key properties of N-[4-(azepan-1-yl)phenyl]-2-phenylmethoxypropanamide?
N-[4-(azepan-1-yl)phenyl]-2-phenylmethoxypropanamide has a molecular weight of 352.48 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-yl)phenyl]-2-phenylmethoxypropanamide is sourced from PubChem (CID 55649917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).