2-[[(2S)-1-hydroxypentan-2-yl]amino]-N-[2-(3-methylphenoxy)phenyl]acetamide

C20H26N2O3 — CID 59062971

IUPAC2-[[(2S)-1-hydroxypentan-2-yl]amino]-N-[2-(3-methylphenoxy)phenyl]acetamide
SMILESCCC[C@@H](CO)NCC(=O)Nc1ccccc1Oc1cccc(C)c1
InChIInChI=1S/C20H26N2O3/c1-3-7-16(14-23)21-13-20(24)22-18-10-4-5-11-19(18)25-17-9-6-8-15(2)12-17/h4-6,8-12,16,21,23H,3,7,13-14H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyPDGBQDHOACYOGZ-INIZCTEOSA-N
MW342.44 g/mol
LogP3.48
Rot. Bonds9

About 2-[[(2S)-1-hydroxypentan-2-yl]amino]-N-[2-(3-methylphenoxy)phenyl]acetamide

2-[[(2S)-1-hydroxypentan-2-yl]amino]-N-[2-(3-methylphenoxy)phenyl]acetamide (PubChem CID 59062971) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[[(2S)-1-hydroxypentan-2-yl]amino]-N-[2-(3-methylphenoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[[(2S)-1-hydroxypentan-2-yl]amino]-N-[2-(3-methylphenoxy)phenyl]acetamide
PubChem CID59062971
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-[[(2S)-1-hydroxypentan-2-yl]amino]-N-[2-(3-methylphenoxy)phenyl]acetamide
SMILESCCC[C@@H](CO)NCC(=O)Nc1ccccc1Oc1cccc(C)c1
InChIInChI=1S/C20H26N2O3/c1-3-7-16(14-23)21-13-20(24)22-18-10-4-5-11-19(18)25-17-9-6-8-15(2)12-17/h4-6,8-12,16,21,23H,3,7,13-14H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyPDGBQDHOACYOGZ-INIZCTEOSA-N
XLogP3.48
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide
CID 119266448
2-amino-N-[2-(3-methylphenoxy)phenyl]acetamide
CID 61260248
4-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide;hydrochloride
CID 120558964
(2R)-2-amino-N-[2-(3-methylphenoxy)phenyl]propanamide
CID 78973374
(2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 28573798
2-[2-(3-methylphenoxy)anilino]-N-prop-2-enylacetamide
CID 17393792
4-(3-methylphenoxy)-N-(2-propoxyphenyl)butanamide
CID 112793578
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide
CID 9369657
2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide
CID 41075466
N-(2-methoxyphenyl)-2-(2-phenoxyanilino)acetamide
CID 7922855
N-(2-ethoxyphenyl)-3-(3-methylphenoxy)propanamide
CID 2939056
2-(pentylamino)-N-(2-phenoxyphenyl)acetamide
CID 109006006

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-hydroxypentan-2-yl]amino]-N-[2-(3-methylphenoxy)phenyl]acetamide?
The IUPAC name of 2-[[(2S)-1-hydroxypentan-2-yl]amino]-N-[2-(3-methylphenoxy)phenyl]acetamide (CID 59062971) is 2-[[(2S)-1-hydroxypentan-2-yl]amino]-N-[2-(3-methylphenoxy)phenyl]acetamide.
What is the SMILES notation for 2-[[(2S)-1-hydroxypentan-2-yl]amino]-N-[2-(3-methylphenoxy)phenyl]acetamide?
The canonical SMILES for 2-[[(2S)-1-hydroxypentan-2-yl]amino]-N-[2-(3-methylphenoxy)phenyl]acetamide is CCC[C@@H](CO)NCC(=O)Nc1ccccc1Oc1cccc(C)c1.
What is the InChIKey of 2-[[(2S)-1-hydroxypentan-2-yl]amino]-N-[2-(3-methylphenoxy)phenyl]acetamide?
The InChIKey is PDGBQDHOACYOGZ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-7-16(14-23)21-13-20(24)22-18-10-4-5-11-19(18)25-17-9-6-8-15(2)12-17/h4-6,8-12,16,21,23H,3,7,13-14H2,1-2H3,(H,22,24)/t16-/m0/s1.
What are the key properties of 2-[[(2S)-1-hydroxypentan-2-yl]amino]-N-[2-(3-methylphenoxy)phenyl]acetamide?
2-[[(2S)-1-hydroxypentan-2-yl]amino]-N-[2-(3-methylphenoxy)phenyl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 3.48, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-hydroxypentan-2-yl]amino]-N-[2-(3-methylphenoxy)phenyl]acetamide is sourced from PubChem (CID 59062971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).