N-[(2S,3S)-1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide

C22H28N2O3 — CID 31240518

IUPACN-[(2S,3S)-1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C22H28N2O3/c1-5-16(2)20(23-21(25)18-9-7-6-8-10-18)22(26)24(3)15-17-11-13-19(27-4)14-12-17/h6-14,16,20H,5,15H2,1-4H3,(H,23,25)/t16-,20-/m0/s1
InChIKeyRSRJUFXXACDTSX-JXFKEZNVSA-N
MW368.48 g/mol
LogP3.50
Rot. Bonds8

About N-[(2S,3S)-1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide

N-[(2S,3S)-1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 31240518) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[(2S,3S)-1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S,3S)-1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
PubChem CID31240518
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[(2S,3S)-1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C22H28N2O3/c1-5-16(2)20(23-21(25)18-9-7-6-8-10-18)22(26)24(3)15-17-11-13-19(27-4)14-12-17/h6-14,16,20H,5,15H2,1-4H3,(H,23,25)/t16-,20-/m0/s1
InChIKeyRSRJUFXXACDTSX-JXFKEZNVSA-N
XLogP3.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R,3R)-1-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 32959766
N-[(2S,3S)-3-methyl-1-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-1-oxopentan-2-yl]benzamide
CID 24544774
4-methoxy-N-[1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51155127
methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
tert-butyl N-[1-[benzyl(methyl)amino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 110409575
N-[1-[benzyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 51147840
4-methoxy-N-[(2S)-3-methyl-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxobutan-2-yl]benzamide
CID 7997601
N-[(2S)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 7613130
N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide
CID 125144559
N-[1-[(4-methoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 51155108
N-[(2S,3S)-1-[(3-hydroxycyclobutyl)-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 97306496
N-[(2R,3S)-1-[(3-hydroxycyclobutyl)-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 97306498

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of N-[(2S,3S)-1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide (CID 31240518) is N-[(2S,3S)-1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for N-[(2S,3S)-1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for N-[(2S,3S)-1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide is CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)Cc1ccc(OC)cc1.
What is the InChIKey of N-[(2S,3S)-1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is RSRJUFXXACDTSX-JXFKEZNVSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-5-16(2)20(23-21(25)18-9-7-6-8-10-18)22(26)24(3)15-17-11-13-19(27-4)14-12-17/h6-14,16,20H,5,15H2,1-4H3,(H,23,25)/t16-,20-/m0/s1.
What are the key properties of N-[(2S,3S)-1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide?
N-[(2S,3S)-1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 368.48 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 31240518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).