2-[(2-chlorophenyl)methyl-ethylamino]-N-[(4-phenyloxan-4-yl)methyl]acetamide

C23H29ClN2O2 — CID 55852266

IUPAC2-[(2-chlorophenyl)methyl-ethylamino]-N-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESCCN(CC(=O)NCC1(c2ccccc2)CCOCC1)Cc1ccccc1Cl
InChIInChI=1S/C23H29ClN2O2/c1-2-26(16-19-8-6-7-11-21(19)24)17-22(27)25-18-23(12-14-28-15-13-23)20-9-4-3-5-10-20/h3-11H,2,12-18H2,1H3,(H,25,27)
InChIKeyBOSIBLTWJSEFMO-UHFFFAOYSA-N
MW400.95 g/mol
LogP4.03
Rot. Bonds8

About 2-[(2-chlorophenyl)methyl-ethylamino]-N-[(4-phenyloxan-4-yl)methyl]acetamide

2-[(2-chlorophenyl)methyl-ethylamino]-N-[(4-phenyloxan-4-yl)methyl]acetamide (PubChem CID 55852266) has the molecular formula C23H29ClN2O2 and a molecular weight of 400.95 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-ethylamino]-N-[(4-phenyloxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-ethylamino]-N-[(4-phenyloxan-4-yl)methyl]acetamide
PubChem CID55852266
Molecular FormulaC23H29ClN2O2
Molecular Weight400.95 g/mol
Exact Mass400.19
IUPAC Name2-[(2-chlorophenyl)methyl-ethylamino]-N-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESCCN(CC(=O)NCC1(c2ccccc2)CCOCC1)Cc1ccccc1Cl
InChIInChI=1S/C23H29ClN2O2/c1-2-26(16-19-8-6-7-11-21(19)24)17-22(27)25-18-23(12-14-28-15-13-23)20-9-4-3-5-10-20/h3-11H,2,12-18H2,1H3,(H,25,27)
InChIKeyBOSIBLTWJSEFMO-UHFFFAOYSA-N
XLogP4.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.95
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-aminoethyl(2-phenylethyl)amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide;hydrochloride
CID 120871727
2-[(2-chlorophenyl)methyl-ethylamino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 60508609
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55658424
2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 27448808
3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 119731118
N'-[(4-phenyloxan-4-yl)methyl]-N-propyloxamide
CID 27451627
2-(2-methyl-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 100507549
4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide
CID 120560576
(2S)-N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide
CID 755199
N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide;hydrochloride
CID 44828372
N-[(4-phenyloxan-4-yl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 100661394
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide
CID 75538689

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-ethylamino]-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-ethylamino]-N-[(4-phenyloxan-4-yl)methyl]acetamide (CID 55852266) is 2-[(2-chlorophenyl)methyl-ethylamino]-N-[(4-phenyloxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-ethylamino]-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-ethylamino]-N-[(4-phenyloxan-4-yl)methyl]acetamide is CCN(CC(=O)NCC1(c2ccccc2)CCOCC1)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-ethylamino]-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The InChIKey is BOSIBLTWJSEFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O2/c1-2-26(16-19-8-6-7-11-21(19)24)17-22(27)25-18-23(12-14-28-15-13-23)20-9-4-3-5-10-20/h3-11H,2,12-18H2,1H3,(H,25,27).
What are the key properties of 2-[(2-chlorophenyl)methyl-ethylamino]-N-[(4-phenyloxan-4-yl)methyl]acetamide?
2-[(2-chlorophenyl)methyl-ethylamino]-N-[(4-phenyloxan-4-yl)methyl]acetamide has a molecular weight of 400.95 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-ethylamino]-N-[(4-phenyloxan-4-yl)methyl]acetamide is sourced from PubChem (CID 55852266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).