3-chloro-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2,2-dimethylpropanamide

C14H20ClNO4 — CID 63678845

IUPAC3-chloro-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)CCl)cc1OCCO
InChIInChI=1S/C14H20ClNO4/c1-14(2,9-15)13(18)16-10-4-5-11(19-3)12(8-10)20-7-6-17/h4-5,8,17H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyNXOFCMCJICNDQC-UHFFFAOYSA-N
MW301.77 g/mol
LogP2.27
Rot. Bonds7

About 3-chloro-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2,2-dimethylpropanamide

3-chloro-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2,2-dimethylpropanamide (PubChem CID 63678845) has the molecular formula C14H20ClNO4 and a molecular weight of 301.77 g/mol. Its IUPAC name is 3-chloro-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2,2-dimethylpropanamide
PubChem CID63678845
Molecular FormulaC14H20ClNO4
Molecular Weight301.77 g/mol
Exact Mass301.11
IUPAC Name3-chloro-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)CCl)cc1OCCO
InChIInChI=1S/C14H20ClNO4/c1-14(2,9-15)13(18)16-10-4-5-11(19-3)12(8-10)20-7-6-17/h4-5,8,17H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyNXOFCMCJICNDQC-UHFFFAOYSA-N
XLogP2.27
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]carbamate
CID 79346534
2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 76893076
(2S)-2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 61154260
3-[3-(2-hydroxyethoxy)-4-methoxyanilino]-3-oxopropanoic acid
CID 55049598
N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide
CID 112547835
(E)-4-[3-(2-hydroxyethoxy)-4-methoxyanilino]-4-oxobut-2-enoic acid
CID 60941052
3-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]butanamide
CID 60837190
2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide
CID 43696167
2-[3-(2-hydroxyethoxy)-4-methoxyanilino]propanoic acid
CID 66173740
2-(aminomethyl)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide
CID 65225450
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 100782698
2-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-2-methylpropanamide
CID 119286134

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2,2-dimethylpropanamide (CID 63678845) is 3-chloro-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2,2-dimethylpropanamide is COc1ccc(NC(=O)C(C)(C)CCl)cc1OCCO.
What is the InChIKey of 3-chloro-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2,2-dimethylpropanamide?
The InChIKey is NXOFCMCJICNDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO4/c1-14(2,9-15)13(18)16-10-4-5-11(19-3)12(8-10)20-7-6-17/h4-5,8,17H,6-7,9H2,1-3H3,(H,16,18).
What are the key properties of 3-chloro-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2,2-dimethylpropanamide?
3-chloro-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2,2-dimethylpropanamide has a molecular weight of 301.77 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 63678845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).