N-[2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methylamino]-2-oxoethyl]butanamide

C18H24Cl2N2O3 — CID 86833800

IUPACN-[2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methylamino]-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1
InChIInChI=1S/C18H24Cl2N2O3/c1-2-3-16(23)21-11-17(24)22-12-18(6-8-25-9-7-18)14-5-4-13(19)10-15(14)20/h4-5,10H,2-3,6-9,11-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyYQRUAQIFLAUUOB-UHFFFAOYSA-N
MW387.31 g/mol
LogP3.07
Rot. Bonds7

About N-[2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methylamino]-2-oxoethyl]butanamide

N-[2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methylamino]-2-oxoethyl]butanamide (PubChem CID 86833800) has the molecular formula C18H24Cl2N2O3 and a molecular weight of 387.31 g/mol. Its IUPAC name is N-[2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methylamino]-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-[2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methylamino]-2-oxoethyl]butanamide
PubChem CID86833800
Molecular FormulaC18H24Cl2N2O3
Molecular Weight387.31 g/mol
Exact Mass386.12
IUPAC NameN-[2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methylamino]-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1
InChIInChI=1S/C18H24Cl2N2O3/c1-2-3-16(23)21-11-17(24)22-12-18(6-8-25-9-7-18)14-5-4-13(19)10-15(14)20/h4-5,10H,2-3,6-9,11-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyYQRUAQIFLAUUOB-UHFFFAOYSA-N
XLogP3.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-hydroxyethyl)urea
CID 110904192
1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 71886523
2-amino-N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride
CID 120987373
N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3,5-dinitrobenzamide
CID 60573341
(2R,3S)-N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-2-methylmorpholine-3-carboxamide
CID 120927859
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide
CID 119749418
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-4-(methylamino)butanamide;hydrochloride
CID 119777736
1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111406737
4-acetyl-N'-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-N-ethylpiperazine-1-carboximidamide
CID 110962475
tert-butyl 2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 60575510
3-(3-chlorophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]propanamide
CID 86833759
1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110939517

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methylamino]-2-oxoethyl]butanamide?
The IUPAC name of N-[2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methylamino]-2-oxoethyl]butanamide (CID 86833800) is N-[2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methylamino]-2-oxoethyl]butanamide.
What is the SMILES notation for N-[2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methylamino]-2-oxoethyl]butanamide?
The canonical SMILES for N-[2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methylamino]-2-oxoethyl]butanamide is CCCC(=O)NCC(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1.
What is the InChIKey of N-[2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methylamino]-2-oxoethyl]butanamide?
The InChIKey is YQRUAQIFLAUUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O3/c1-2-3-16(23)21-11-17(24)22-12-18(6-8-25-9-7-18)14-5-4-13(19)10-15(14)20/h4-5,10H,2-3,6-9,11-12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methylamino]-2-oxoethyl]butanamide?
N-[2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methylamino]-2-oxoethyl]butanamide has a molecular weight of 387.31 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methylamino]-2-oxoethyl]butanamide is sourced from PubChem (CID 86833800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).