2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide

C16H23ClN2O3 — CID 2931257

IUPAC2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)NCCN1CCOCC1
InChIInChI=1S/C16H23ClN2O3/c1-12-11-14(17)3-4-15(12)22-13(2)16(20)18-5-6-19-7-9-21-10-8-19/h3-4,11,13H,5-10H2,1-2H3,(H,18,20)
InChIKeyVPYZYFDCIPTNJL-UHFFFAOYSA-N
MW326.82 g/mol
LogP1.86
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide

2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 2931257) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID2931257
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)NCCN1CCOCC1
InChIInChI=1S/C16H23ClN2O3/c1-12-11-14(17)3-4-15(12)22-13(2)16(20)18-5-6-19-7-9-21-10-8-19/h3-4,11,13H,5-10H2,1-2H3,(H,18,20)
InChIKeyVPYZYFDCIPTNJL-UHFFFAOYSA-N
XLogP1.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 93488370
2-(4-chlorophenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 51159478
4-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 3148041
2-(4-chloro-2-methylphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 42992476
2-(4-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 51163883
2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide
CID 86921283
2-(3-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 21368370
2-(4-chloro-2-methylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide
CID 55478999
(2R)-2-(4-chloro-2-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 725864
(2S)-2-(4-chloro-2-methylphenoxy)-N-(4-methylpiperazin-1-yl)propanamide
CID 7027007
(2R)-2-(4-bromophenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 2203701
(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 92764440

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide (CID 2931257) is 2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide is Cc1cc(Cl)ccc1OC(C)C(=O)NCCN1CCOCC1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is VPYZYFDCIPTNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-12-11-14(17)3-4-15(12)22-13(2)16(20)18-5-6-19-7-9-21-10-8-19/h3-4,11,13H,5-10H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide?
2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 326.82 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 2931257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).