N-[3-[[(2-methoxy-2-phenylacetyl)amino]methyl]phenyl]-3-methylbutanamide

C21H26N2O3 — CID 60589103

IUPACN-[3-[[(2-methoxy-2-phenylacetyl)amino]methyl]phenyl]-3-methylbutanamide
SMILESCOC(C(=O)NCc1cccc(NC(=O)CC(C)C)c1)c1ccccc1
InChIInChI=1S/C21H26N2O3/c1-15(2)12-19(24)23-18-11-7-8-16(13-18)14-22-21(25)20(26-3)17-9-5-4-6-10-17/h4-11,13,15,20H,12,14H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyPPPFLOOTDODXCJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.68
Rot. Bonds8

About N-[3-[[(2-methoxy-2-phenylacetyl)amino]methyl]phenyl]-3-methylbutanamide

N-[3-[[(2-methoxy-2-phenylacetyl)amino]methyl]phenyl]-3-methylbutanamide (PubChem CID 60589103) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[3-[[(2-methoxy-2-phenylacetyl)amino]methyl]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-[[(2-methoxy-2-phenylacetyl)amino]methyl]phenyl]-3-methylbutanamide
PubChem CID60589103
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[3-[[(2-methoxy-2-phenylacetyl)amino]methyl]phenyl]-3-methylbutanamide
SMILESCOC(C(=O)NCc1cccc(NC(=O)CC(C)C)c1)c1ccccc1
InChIInChI=1S/C21H26N2O3/c1-15(2)12-19(24)23-18-11-7-8-16(13-18)14-22-21(25)20(26-3)17-9-5-4-6-10-17/h4-11,13,15,20H,12,14H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyPPPFLOOTDODXCJ-UHFFFAOYSA-N
XLogP3.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide
CID 43601133
N-[3-[[(2-amino-2-phenylpropanoyl)amino]methyl]phenyl]-3-methylbutanamide
CID 120589998
N-[3-[(3-aminopropanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride
CID 119301478
N-[3-[(3-aminobutanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride
CID 119745470
N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]-3-methylbutanamide
CID 119745433
(2R)-2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 6543594
N-[3-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]phenyl]-3-methylbutanamide;hydroiodide
CID 110918783
3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 21491914
3-methyl-N-[3-[[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]methyl]phenyl]butanamide
CID 111003001
N-[3-[[[N-[(3-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]-3-methylbutanamide
CID 111176712
N-[3-[[[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]-3-methylbutanamide;hydroiodide
CID 111339548
N-[3-[[[N-(2-methoxy-2-methylpropyl)-N'-methylcarbamimidoyl]amino]methyl]phenyl]-3-methylbutanamide
CID 111606305

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-methoxy-2-phenylacetyl)amino]methyl]phenyl]-3-methylbutanamide?
The IUPAC name of N-[3-[[(2-methoxy-2-phenylacetyl)amino]methyl]phenyl]-3-methylbutanamide (CID 60589103) is N-[3-[[(2-methoxy-2-phenylacetyl)amino]methyl]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[3-[[(2-methoxy-2-phenylacetyl)amino]methyl]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[3-[[(2-methoxy-2-phenylacetyl)amino]methyl]phenyl]-3-methylbutanamide is COC(C(=O)NCc1cccc(NC(=O)CC(C)C)c1)c1ccccc1.
What is the InChIKey of N-[3-[[(2-methoxy-2-phenylacetyl)amino]methyl]phenyl]-3-methylbutanamide?
The InChIKey is PPPFLOOTDODXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15(2)12-19(24)23-18-11-7-8-16(13-18)14-22-21(25)20(26-3)17-9-5-4-6-10-17/h4-11,13,15,20H,12,14H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-[[(2-methoxy-2-phenylacetyl)amino]methyl]phenyl]-3-methylbutanamide?
N-[3-[[(2-methoxy-2-phenylacetyl)amino]methyl]phenyl]-3-methylbutanamide has a molecular weight of 354.45 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-methoxy-2-phenylacetyl)amino]methyl]phenyl]-3-methylbutanamide is sourced from PubChem (CID 60589103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).