N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide

C21H28N2O2 — CID 99815527

IUPACN-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
SMILESCOc1cc(CC(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)ccc1C
InChIInChI=1S/C21H28N2O2/c1-14(2)17-7-9-18(10-8-17)19(22)13-23-21(24)12-16-6-5-15(3)20(11-16)25-4/h5-11,14,19H,12-13,22H2,1-4H3,(H,23,24)/t19-/m1/s1
InChIKeyPNOXHPBEKVNPSI-LJQANCHMSA-N
MW340.47 g/mol
LogP3.49
Rot. Bonds7

About N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide

N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide (PubChem CID 99815527) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
PubChem CID99815527
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
SMILESCOc1cc(CC(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)ccc1C
InChIInChI=1S/C21H28N2O2/c1-14(2)17-7-9-18(10-8-17)19(22)13-23-21(24)12-16-6-5-15(3)20(11-16)25-4/h5-11,14,19H,12-13,22H2,1-4H3,(H,23,24)/t19-/m1/s1
InChIKeyPNOXHPBEKVNPSI-LJQANCHMSA-N
XLogP3.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 43394122
2-(3-methoxy-4-methylphenyl)-N-[2-(methylamino)propyl]acetamide
CID 120827889
methyl 2-hydroxy-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoate
CID 103879287
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 119260530
N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride
CID 119383063
3-methoxy-4-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid
CID 103153347
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(3-methoxyphenyl)propanamide;hydrochloride
CID 119526922
3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]-2,2-dimethylpropanamide
CID 56813750
3-amino-N-[(3-methoxy-4-methylphenyl)methyl]butanamide
CID 119747528
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methoxypentanamide;hydrochloride
CID 119526500
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride
CID 119525724
methyl 3-[[2-(3,4-dimethylphenyl)acetyl]amino]-2-hydroxypropanoate
CID 103957745

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide?
The IUPAC name of N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide (CID 99815527) is N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide.
What is the SMILES notation for N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide?
The canonical SMILES for N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide is COc1cc(CC(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)ccc1C.
What is the InChIKey of N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide?
The InChIKey is PNOXHPBEKVNPSI-LJQANCHMSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-14(2)17-7-9-18(10-8-17)19(22)13-23-21(24)12-16-6-5-15(3)20(11-16)25-4/h5-11,14,19H,12-13,22H2,1-4H3,(H,23,24)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide?
N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide has a molecular weight of 340.47 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide is sourced from PubChem (CID 99815527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).