3-methoxy-N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide

C22H28N2O3 — CID 42703712

IUPAC3-methoxy-N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1cccc(OC)c1)C(=O)NCCc1ccccc1
InChIInChI=1S/C22H28N2O3/c1-4-16(2)20(22(26)23-14-13-17-9-6-5-7-10-17)24-21(25)18-11-8-12-19(15-18)27-3/h5-12,15-16,20H,4,13-14H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyVNTCUYWRDOFRBV-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.20
Rot. Bonds9

About 3-methoxy-N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide

3-methoxy-N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide (PubChem CID 42703712) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-methoxy-N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide
PubChem CID42703712
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-methoxy-N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1cccc(OC)c1)C(=O)NCCc1ccccc1
InChIInChI=1S/C22H28N2O3/c1-4-16(2)20(22(26)23-14-13-17-9-6-5-7-10-17)24-21(25)18-11-8-12-19(15-18)27-3/h5-12,15-16,20H,4,13-14H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyVNTCUYWRDOFRBV-UHFFFAOYSA-N
XLogP3.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(4-aminophenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119548107
N-[(2S,3S)-1-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 24549048
2-(3-methoxyphenoxy)-N-(2-phenylethyl)propanamide
CID 19203903
3-methoxy-N-[2-[(3-methyl-2-phenylpentanoyl)amino]ethyl]benzamide
CID 78846238
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide
CID 78773277
(2S,3S)-3-methyl-N-(2-phenylethyl)-2-(3-sulfanylpropanoylamino)pentanamide
CID 10403882
N-(1-chloro-3-phenylpropan-2-yl)-3-methoxybenzamide
CID 74554915
4-methoxy-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51157879
(2S)-2-[[3-(methoxymethyl)benzoyl]amino]-3-methylpentanoic acid
CID 61172026
2-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]butanamide
CID 115186724
3-butan-2-yloxy-N-(2-phenylethylcarbamothioyl)benzamide
CID 17149973
N-[(2S)-1-[[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide
CID 163610340

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide?
The IUPAC name of 3-methoxy-N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide (CID 42703712) is 3-methoxy-N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide is CCC(C)C(NC(=O)c1cccc(OC)c1)C(=O)NCCc1ccccc1.
What is the InChIKey of 3-methoxy-N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide?
The InChIKey is VNTCUYWRDOFRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-16(2)20(22(26)23-14-13-17-9-6-5-7-10-17)24-21(25)18-11-8-12-19(15-18)27-3/h5-12,15-16,20H,4,13-14H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 3-methoxy-N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide?
3-methoxy-N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide has a molecular weight of 368.48 g/mol, XLogP of 3.20, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide is sourced from PubChem (CID 42703712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).