N-cyclohexyl-2-[3-(3-phenylpropoxy)anilino]acetamide

C23H30N2O2 — CID 54828224

IUPACN-cyclohexyl-2-[3-(3-phenylpropoxy)anilino]acetamide
SMILESO=C(CNc1cccc(OCCCc2ccccc2)c1)NC1CCCCC1
InChIInChI=1S/C23H30N2O2/c26-23(25-20-12-5-2-6-13-20)18-24-21-14-7-15-22(17-21)27-16-8-11-19-9-3-1-4-10-19/h1,3-4,7,9-10,14-15,17,20,24H,2,5-6,8,11-13,16,18H2,(H,25,26)
InChIKeyJBBQFNMDJYHBGO-UHFFFAOYSA-N
MW366.50 g/mol
LogP4.56
Rot. Bonds9

About N-cyclohexyl-2-[3-(3-phenylpropoxy)anilino]acetamide

N-cyclohexyl-2-[3-(3-phenylpropoxy)anilino]acetamide (PubChem CID 54828224) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-(3-phenylpropoxy)anilino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-(3-phenylpropoxy)anilino]acetamide
PubChem CID54828224
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC NameN-cyclohexyl-2-[3-(3-phenylpropoxy)anilino]acetamide
SMILESO=C(CNc1cccc(OCCCc2ccccc2)c1)NC1CCCCC1
InChIInChI=1S/C23H30N2O2/c26-23(25-20-12-5-2-6-13-20)18-24-21-14-7-15-22(17-21)27-16-8-11-19-9-3-1-4-10-19/h1,3-4,7,9-10,14-15,17,20,24H,2,5-6,8,11-13,16,18H2,(H,25,26)
InChIKeyJBBQFNMDJYHBGO-UHFFFAOYSA-N
XLogP4.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-phenylpropoxy)anilino]-1-piperidin-1-ylethanone
CID 54828029
N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827369
2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]acetamide
CID 54810854
N-cyclohexyl-4-[[2-[3-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54825662
N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide
CID 54827901
2-[3-(2-phenoxyethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54826045
N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54827335
3-phenylpropyl 4-(cyclohexylamino)-4-oxobutanoate
CID 4779106
methyl 4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]benzoate
CID 54828126
2-methyl-N-[3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54831793
2-[3-(3-phenylpropoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54827333
N-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54831160

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-(3-phenylpropoxy)anilino]acetamide?
The IUPAC name of N-cyclohexyl-2-[3-(3-phenylpropoxy)anilino]acetamide (CID 54828224) is N-cyclohexyl-2-[3-(3-phenylpropoxy)anilino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-(3-phenylpropoxy)anilino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[3-(3-phenylpropoxy)anilino]acetamide is O=C(CNc1cccc(OCCCc2ccccc2)c1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[3-(3-phenylpropoxy)anilino]acetamide?
The InChIKey is JBBQFNMDJYHBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c26-23(25-20-12-5-2-6-13-20)18-24-21-14-7-15-22(17-21)27-16-8-11-19-9-3-1-4-10-19/h1,3-4,7,9-10,14-15,17,20,24H,2,5-6,8,11-13,16,18H2,(H,25,26).
What are the key properties of N-cyclohexyl-2-[3-(3-phenylpropoxy)anilino]acetamide?
N-cyclohexyl-2-[3-(3-phenylpropoxy)anilino]acetamide has a molecular weight of 366.50 g/mol, XLogP of 4.56, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-(3-phenylpropoxy)anilino]acetamide is sourced from PubChem (CID 54828224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).