2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide

C14H18ClNO4 — CID 28898320

IUPAC2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide
SMILESCOc1cc(CO)cc(Cl)c1OCC(=O)NCC1CC1
InChIInChI=1S/C14H18ClNO4/c1-19-12-5-10(7-17)4-11(15)14(12)20-8-13(18)16-6-9-2-3-9/h4-5,9,17H,2-3,6-8H2,1H3,(H,16,18)
InChIKeySYYYCWUZEKIGLI-UHFFFAOYSA-N
MW299.75 g/mol
LogP1.75
Rot. Bonds7

About 2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide

2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide (PubChem CID 28898320) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is 2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide
PubChem CID28898320
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Name2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide
SMILESCOc1cc(CO)cc(Cl)c1OCC(=O)NCC1CC1
InChIInChI=1S/C14H18ClNO4/c1-19-12-5-10(7-17)4-11(15)14(12)20-8-13(18)16-6-9-2-3-9/h4-5,9,17H,2-3,6-8H2,1H3,(H,16,18)
InChIKeySYYYCWUZEKIGLI-UHFFFAOYSA-N
XLogP1.75
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-2-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]acetamide
CID 43516699
2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide
CID 28898382
[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol
CID 61343380
2-(4-amino-2,6-dichlorophenoxy)-N-(cyclopropylmethyl)acetamide
CID 43351652
[3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol
CID 28898258
2-[2-chloro-4-[(cyclobutylmethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 43298481
[4-(2-bromoprop-2-enoxy)-3-chloro-5-methoxyphenyl]methanol
CID 60873214
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61487525
N-(cyclopropylmethyl)-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide
CID 43278722
2-[2-chloro-6-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
CID 43276589
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(3-methoxypropyl)acetamide
CID 61486427
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-carbamoylacetamide
CID 28966876

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide (CID 28898320) is 2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide is COc1cc(CO)cc(Cl)c1OCC(=O)NCC1CC1.
What is the InChIKey of 2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide?
The InChIKey is SYYYCWUZEKIGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-19-12-5-10(7-17)4-11(15)14(12)20-8-13(18)16-6-9-2-3-9/h4-5,9,17H,2-3,6-8H2,1H3,(H,16,18).
What are the key properties of 2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide?
2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide has a molecular weight of 299.75 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 28898320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).