2-(N-[3-(4-chlorophenoxy)-2-hydroxypropyl]anilino)-N-propan-2-ylacetamide

C20H25ClN2O3 — CID 12801064

IUPAC2-(N-[3-(4-chlorophenoxy)-2-hydroxypropyl]anilino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(CC(O)COc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C20H25ClN2O3/c1-15(2)22-20(25)13-23(17-6-4-3-5-7-17)12-18(24)14-26-19-10-8-16(21)9-11-19/h3-11,15,18,24H,12-14H2,1-2H3,(H,22,25)
InChIKeyCYIAEMFYWFGAEH-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.11
Rot. Bonds9

About 2-(N-[3-(4-chlorophenoxy)-2-hydroxypropyl]anilino)-N-propan-2-ylacetamide

2-(N-[3-(4-chlorophenoxy)-2-hydroxypropyl]anilino)-N-propan-2-ylacetamide (PubChem CID 12801064) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 2-(N-[3-(4-chlorophenoxy)-2-hydroxypropyl]anilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(N-[3-(4-chlorophenoxy)-2-hydroxypropyl]anilino)-N-propan-2-ylacetamide
PubChem CID12801064
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name2-(N-[3-(4-chlorophenoxy)-2-hydroxypropyl]anilino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(CC(O)COc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C20H25ClN2O3/c1-15(2)22-20(25)13-23(17-6-4-3-5-7-17)12-18(24)14-26-19-10-8-16(21)9-11-19/h3-11,15,18,24H,12-14H2,1-2H3,(H,22,25)
InChIKeyCYIAEMFYWFGAEH-UHFFFAOYSA-N
XLogP3.11
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(N-[3-(4-chlorophenoxy)-2-hydroxypropyl]anilino)acetate
CID 12801053
2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-phenylacetamide
CID 110888444
2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide
CID 32530996
(2S)-1-[4-[bis[(2R)-2-hydroxy-3-phenoxypropyl]amino]-N-[(2S)-2-hydroxy-3-phenoxypropyl]anilino]-3-phenoxypropan-2-ol
CID 99654291
2-(4-chloro-N-(2-hydroxy-3-methoxypropyl)anilino)acetic acid
CID 63928196
N-[4-[2-hydroxy-3-(N-propan-2-ylanilino)propoxy]phenyl]acetamide
CID 110907951
1-[4-[2-hydroxy-3-[N-(2-hydroxyethyl)anilino]propoxy]phenyl]propan-1-one;hydrochloride
CID 138959431
(2S)-1-[benzyl(2-methylpropyl)amino]-3-(4-chlorophenoxy)propan-2-ol
CID 93161416
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-propan-2-ylacetamide
CID 3130619
(2S)-1-[4-[(2R)-2-hydroxy-3-(N-methylanilino)propoxy]phenoxy]-3-(N-methylanilino)propan-2-ol
CID 1232760
2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide
CID 32531014
N-cyclopentyl-2-[N-(2-hydroxybutyl)anilino]acetamide
CID 51108555

Frequently Asked Questions

What is the IUPAC name of 2-(N-[3-(4-chlorophenoxy)-2-hydroxypropyl]anilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(N-[3-(4-chlorophenoxy)-2-hydroxypropyl]anilino)-N-propan-2-ylacetamide (CID 12801064) is 2-(N-[3-(4-chlorophenoxy)-2-hydroxypropyl]anilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(N-[3-(4-chlorophenoxy)-2-hydroxypropyl]anilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(N-[3-(4-chlorophenoxy)-2-hydroxypropyl]anilino)-N-propan-2-ylacetamide is CC(C)NC(=O)CN(CC(O)COc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-(N-[3-(4-chlorophenoxy)-2-hydroxypropyl]anilino)-N-propan-2-ylacetamide?
The InChIKey is CYIAEMFYWFGAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-15(2)22-20(25)13-23(17-6-4-3-5-7-17)12-18(24)14-26-19-10-8-16(21)9-11-19/h3-11,15,18,24H,12-14H2,1-2H3,(H,22,25).
What are the key properties of 2-(N-[3-(4-chlorophenoxy)-2-hydroxypropyl]anilino)-N-propan-2-ylacetamide?
2-(N-[3-(4-chlorophenoxy)-2-hydroxypropyl]anilino)-N-propan-2-ylacetamide has a molecular weight of 376.88 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[3-(4-chlorophenoxy)-2-hydroxypropyl]anilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 12801064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).