N-(4-methylphenyl)-2-[4-[[[(2S)-4-phenylbutan-2-yl]amino]methyl]phenoxy]acetamide

C26H30N2O2 — CID 51991185

IUPACN-(4-methylphenyl)-2-[4-[[[(2S)-4-phenylbutan-2-yl]amino]methyl]phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(CN[C@@H](C)CCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H30N2O2/c1-20-8-14-24(15-9-20)28-26(29)19-30-25-16-12-23(13-17-25)18-27-21(2)10-11-22-6-4-3-5-7-22/h3-9,12-17,21,27H,10-11,18-19H2,1-2H3,(H,28,29)/t21-/m0/s1
InChIKeyGYYUCCJZKMBHQJ-NRFANRHFSA-N
MW402.54 g/mol
LogP5.12
Rot. Bonds10

About N-(4-methylphenyl)-2-[4-[[[(2S)-4-phenylbutan-2-yl]amino]methyl]phenoxy]acetamide

N-(4-methylphenyl)-2-[4-[[[(2S)-4-phenylbutan-2-yl]amino]methyl]phenoxy]acetamide (PubChem CID 51991185) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[4-[[[(2S)-4-phenylbutan-2-yl]amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[4-[[[(2S)-4-phenylbutan-2-yl]amino]methyl]phenoxy]acetamide
PubChem CID51991185
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC NameN-(4-methylphenyl)-2-[4-[[[(2S)-4-phenylbutan-2-yl]amino]methyl]phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(CN[C@@H](C)CCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H30N2O2/c1-20-8-14-24(15-9-20)28-26(29)19-30-25-16-12-23(13-17-25)18-27-21(2)10-11-22-6-4-3-5-7-22/h3-9,12-17,21,27H,10-11,18-19H2,1-2H3,(H,28,29)/t21-/m0/s1
InChIKeyGYYUCCJZKMBHQJ-NRFANRHFSA-N
XLogP5.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-phenylbutan-2-ylamino)methyl]phenoxy]acetic acid
CID 17211434
2-[2-chloro-6-ethoxy-4-[[[(2R)-4-phenylbutan-2-yl]amino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 51995300
2-(4-methylphenoxy)-N-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 112982175
N-benzyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 28639871
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-methylphenoxy)acetate
CID 95795801
N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide
CID 837401
(2S)-2-[(4-methylphenyl)methylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 8002682
2-(4-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
CID 3602002
N'-(4-phenylbutan-2-yl)-N-(4-phenylmethoxyphenyl)butanediamide
CID 3886126
(2R)-4-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-2-amine
CID 51526999
N-[4-(butan-2-ylamino)phenyl]-2-(4-methylphenoxy)acetamide
CID 112980491

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[4-[[[(2S)-4-phenylbutan-2-yl]amino]methyl]phenoxy]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[4-[[[(2S)-4-phenylbutan-2-yl]amino]methyl]phenoxy]acetamide (CID 51991185) is N-(4-methylphenyl)-2-[4-[[[(2S)-4-phenylbutan-2-yl]amino]methyl]phenoxy]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[4-[[[(2S)-4-phenylbutan-2-yl]amino]methyl]phenoxy]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[4-[[[(2S)-4-phenylbutan-2-yl]amino]methyl]phenoxy]acetamide is Cc1ccc(NC(=O)COc2ccc(CN[C@@H](C)CCc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[4-[[[(2S)-4-phenylbutan-2-yl]amino]methyl]phenoxy]acetamide?
The InChIKey is GYYUCCJZKMBHQJ-NRFANRHFSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-20-8-14-24(15-9-20)28-26(29)19-30-25-16-12-23(13-17-25)18-27-21(2)10-11-22-6-4-3-5-7-22/h3-9,12-17,21,27H,10-11,18-19H2,1-2H3,(H,28,29)/t21-/m0/s1.
What are the key properties of N-(4-methylphenyl)-2-[4-[[[(2S)-4-phenylbutan-2-yl]amino]methyl]phenoxy]acetamide?
N-(4-methylphenyl)-2-[4-[[[(2S)-4-phenylbutan-2-yl]amino]methyl]phenoxy]acetamide has a molecular weight of 402.54 g/mol, XLogP of 5.12, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[4-[[[(2S)-4-phenylbutan-2-yl]amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 51991185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).