2-[4-[[[(2S)-butan-2-yl]amino]methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide

C22H30N2O3 — CID 51993011

IUPAC2-[4-[[[(2S)-butan-2-yl]amino]methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
SMILESCCOc1cc(CN[C@@H](C)CC)ccc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C22H30N2O3/c1-5-17(4)23-14-18-9-12-20(21(13-18)26-6-2)27-15-22(25)24-19-10-7-16(3)8-11-19/h7-13,17,23H,5-6,14-15H2,1-4H3,(H,24,25)/t17-/m0/s1
InChIKeyUXNUOCLJDBLXOP-KRWDZBQOSA-N
MW370.49 g/mol
LogP4.30
Rot. Bonds10

About 2-[4-[[[(2S)-butan-2-yl]amino]methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide

2-[4-[[[(2S)-butan-2-yl]amino]methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 51993011) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-[4-[[[(2S)-butan-2-yl]amino]methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[[(2S)-butan-2-yl]amino]methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
PubChem CID51993011
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name2-[4-[[[(2S)-butan-2-yl]amino]methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
SMILESCCOc1cc(CN[C@@H](C)CC)ccc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C22H30N2O3/c1-5-17(4)23-14-18-9-12-20(21(13-18)26-6-2)27-15-22(25)24-19-10-7-16(3)8-11-19/h7-13,17,23H,5-6,14-15H2,1-4H3,(H,24,25)/t17-/m0/s1
InChIKeyUXNUOCLJDBLXOP-KRWDZBQOSA-N
XLogP4.30
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-ethoxy-4-(methylaminomethyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 19589313
2-[4-[(4-acetamidoanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539076
2-[[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid
CID 66528287
2-[4-[(cyclopentylamino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 2986953
2-[2-ethoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539158
2-[4-[(2,5-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539468
2-[2-ethoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539460
4-chloro-3-[[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]benzoic acid
CID 66539562
2-[2-ethoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenoxy]-N-phenylacetamide
CID 47008244
2-[4-[(4-ethoxyanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 5187381
2-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]-4-methylpentanoic acid
CID 66527914
2-[4-[(3-chloro-4-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126273143

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[(2S)-butan-2-yl]amino]methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-[[[(2S)-butan-2-yl]amino]methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide (CID 51993011) is 2-[4-[[[(2S)-butan-2-yl]amino]methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[[[(2S)-butan-2-yl]amino]methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[[[(2S)-butan-2-yl]amino]methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide is CCOc1cc(CN[C@@H](C)CC)ccc1OCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[4-[[[(2S)-butan-2-yl]amino]methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is UXNUOCLJDBLXOP-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-5-17(4)23-14-18-9-12-20(21(13-18)26-6-2)27-15-22(25)24-19-10-7-16(3)8-11-19/h7-13,17,23H,5-6,14-15H2,1-4H3,(H,24,25)/t17-/m0/s1.
What are the key properties of 2-[4-[[[(2S)-butan-2-yl]amino]methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide?
2-[4-[[[(2S)-butan-2-yl]amino]methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 370.49 g/mol, XLogP of 4.30, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[(2S)-butan-2-yl]amino]methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 51993011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).