N-[2-(4-chlorophenoxy)propyl]-3-hydroxy-4-methylpentanamide

C15H22ClNO3 — CID 75431267

IUPACN-[2-(4-chlorophenoxy)propyl]-3-hydroxy-4-methylpentanamide
SMILESCC(CNC(=O)CC(O)C(C)C)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO3/c1-10(2)14(18)8-15(19)17-9-11(3)20-13-6-4-12(16)5-7-13/h4-7,10-11,14,18H,8-9H2,1-3H3,(H,17,19)
InChIKeyDQNJICLRUOKVEL-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.63
Rot. Bonds7

About N-[2-(4-chlorophenoxy)propyl]-3-hydroxy-4-methylpentanamide

N-[2-(4-chlorophenoxy)propyl]-3-hydroxy-4-methylpentanamide (PubChem CID 75431267) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)propyl]-3-hydroxy-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)propyl]-3-hydroxy-4-methylpentanamide
PubChem CID75431267
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC NameN-[2-(4-chlorophenoxy)propyl]-3-hydroxy-4-methylpentanamide
SMILESCC(CNC(=O)CC(O)C(C)C)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO3/c1-10(2)14(18)8-15(19)17-9-11(3)20-13-6-4-12(16)5-7-13/h4-7,10-11,14,18H,8-9H2,1-3H3,(H,17,19)
InChIKeyDQNJICLRUOKVEL-UHFFFAOYSA-N
XLogP2.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(4-chlorophenoxy)propyl]acetamide;hydrochloride
CID 119335581
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326
(2S)-2-amino-N-[2-(4-chlorophenoxy)propyl]-3-methylbutanamide
CID 15239278
N-[2-(4-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide
CID 119804655
1-[2-(4-chlorophenoxy)propyl]-3-(4-hydroxy-2-methylpentyl)urea
CID 111509009
N-[2-(4-chlorophenoxy)propyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 71993780
(3R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-3-(2-oxopiperidin-1-yl)butanamide
CID 99792785
N-[2-(4-chlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119804666
4-(4-chlorophenoxy)pentan-2-one
CID 64698945
3-[2-(4-chlorophenoxy)propylcarbamoylamino]propanoic acid
CID 122004324
N-[2-(4-chlorophenoxy)propyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 71993778
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-chlorophenoxy)propyl]acetamide;hydrochloride
CID 119804648

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)propyl]-3-hydroxy-4-methylpentanamide?
The IUPAC name of N-[2-(4-chlorophenoxy)propyl]-3-hydroxy-4-methylpentanamide (CID 75431267) is N-[2-(4-chlorophenoxy)propyl]-3-hydroxy-4-methylpentanamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)propyl]-3-hydroxy-4-methylpentanamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)propyl]-3-hydroxy-4-methylpentanamide is CC(CNC(=O)CC(O)C(C)C)Oc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)propyl]-3-hydroxy-4-methylpentanamide?
The InChIKey is DQNJICLRUOKVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-10(2)14(18)8-15(19)17-9-11(3)20-13-6-4-12(16)5-7-13/h4-7,10-11,14,18H,8-9H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(4-chlorophenoxy)propyl]-3-hydroxy-4-methylpentanamide?
N-[2-(4-chlorophenoxy)propyl]-3-hydroxy-4-methylpentanamide has a molecular weight of 299.80 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)propyl]-3-hydroxy-4-methylpentanamide is sourced from PubChem (CID 75431267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).