N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3-methylbutoxy)propanamide

C16H24ClNO3 — CID 110931236

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3-methylbutoxy)propanamide
SMILESCC(C)CCOC(C)C(=O)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO3/c1-11(2)8-9-21-12(3)16(20)18-10-15(19)13-4-6-14(17)7-5-13/h4-7,11-12,15,19H,8-10H2,1-3H3,(H,18,20)
InChIKeyHDOQKPLSTYKLFE-UHFFFAOYSA-N
MW313.82 g/mol
LogP2.94
Rot. Bonds8

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3-methylbutoxy)propanamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3-methylbutoxy)propanamide (PubChem CID 110931236) has the molecular formula C16H24ClNO3 and a molecular weight of 313.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3-methylbutoxy)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3-methylbutoxy)propanamide
PubChem CID110931236
Molecular FormulaC16H24ClNO3
Molecular Weight313.82 g/mol
Exact Mass313.14
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3-methylbutoxy)propanamide
SMILESCC(C)CCOC(C)C(=O)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO3/c1-11(2)8-9-21-12(3)16(20)18-10-15(19)13-4-6-14(17)7-5-13/h4-7,11-12,15,19H,8-10H2,1-3H3,(H,18,20)
InChIKeyHDOQKPLSTYKLFE-UHFFFAOYSA-N
XLogP2.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.82
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 82117612
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(dimethylamino)-3-methylbutanamide
CID 111107154
4-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-methoxybutanamide
CID 120588649
tert-butyl N-[(2S)-1-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]carbamate
CID 95568784
(2S)-N-[(2R)-2-(3,5-dichlorophenyl)-2-hydroxyethyl]-2-prop-2-enoxypropanamide
CID 95771596
1-(4-chlorophenyl)-2-(2-methylpropoxyamino)ethanol
CID 82715842
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
CID 110931258
(2E,4E)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]hexa-2,4-dienamide
CID 110465762
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethoxyacetamide
CID 110885506
1-(4-chlorophenyl)-5-methylhexan-1-ol
CID 83158277
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(diethylamino)propyl]urea
CID 110893643

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3-methylbutoxy)propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3-methylbutoxy)propanamide (CID 110931236) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3-methylbutoxy)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3-methylbutoxy)propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3-methylbutoxy)propanamide is CC(C)CCOC(C)C(=O)NCC(O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3-methylbutoxy)propanamide?
The InChIKey is HDOQKPLSTYKLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO3/c1-11(2)8-9-21-12(3)16(20)18-10-15(19)13-4-6-14(17)7-5-13/h4-7,11-12,15,19H,8-10H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3-methylbutoxy)propanamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3-methylbutoxy)propanamide has a molecular weight of 313.82 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3-methylbutoxy)propanamide is sourced from PubChem (CID 110931236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).