N-methyl-4-[[methyl-[(2R)-2-phenoxybutanoyl]amino]methyl]benzamide

C20H24N2O3 — CID 8965470

IUPACN-methyl-4-[[methyl-[(2R)-2-phenoxybutanoyl]amino]methyl]benzamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)N(C)Cc1ccc(C(=O)NC)cc1
InChIInChI=1S/C20H24N2O3/c1-4-18(25-17-8-6-5-7-9-17)20(24)22(3)14-15-10-12-16(13-11-15)19(23)21-2/h5-13,18H,4,14H2,1-3H3,(H,21,23)/t18-/m1/s1
InChIKeyITJSIIVQYWUKPZ-GOSISDBHSA-N
MW340.42 g/mol
LogP2.86
Rot. Bonds7

About N-methyl-4-[[methyl-[(2R)-2-phenoxybutanoyl]amino]methyl]benzamide

N-methyl-4-[[methyl-[(2R)-2-phenoxybutanoyl]amino]methyl]benzamide (PubChem CID 8965470) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[(2R)-2-phenoxybutanoyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[(2R)-2-phenoxybutanoyl]amino]methyl]benzamide
PubChem CID8965470
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-methyl-4-[[methyl-[(2R)-2-phenoxybutanoyl]amino]methyl]benzamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)N(C)Cc1ccc(C(=O)NC)cc1
InChIInChI=1S/C20H24N2O3/c1-4-18(25-17-8-6-5-7-9-17)20(24)22(3)14-15-10-12-16(13-11-15)19(23)21-2/h5-13,18H,4,14H2,1-3H3,(H,21,23)/t18-/m1/s1
InChIKeyITJSIIVQYWUKPZ-GOSISDBHSA-N
XLogP2.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylbutanamide
CID 94016620
(2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-naphthalen-2-yloxybutanamide
CID 38011722
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenoxy)butanamide
CID 132651221
N-(2-hydroxypropyl)-N-methyl-2-phenoxybutanamide
CID 62332724
4-[[2-aminopropanoyl(methyl)amino]methyl]-N-methylbenzamide
CID 54871424
4-[[2-bromopropanoyl(methyl)amino]methyl]-N-methylbenzamide
CID 114014417
N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylbutanamide
CID 13232221
(2R)-N-[(4-chlorophenyl)methyl]-N-methyl-2-naphthalen-2-yloxybutanamide
CID 92646894
benzyl N-[(2S)-1-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-1-oxopropan-2-yl]carbamate
CID 8965653
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide
CID 8964487
2-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 132652420
2-chloro-N-[(2S)-1-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-1-oxopropan-2-yl]benzamide
CID 8965792

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[(2R)-2-phenoxybutanoyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-[(2R)-2-phenoxybutanoyl]amino]methyl]benzamide (CID 8965470) is N-methyl-4-[[methyl-[(2R)-2-phenoxybutanoyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-[(2R)-2-phenoxybutanoyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-[(2R)-2-phenoxybutanoyl]amino]methyl]benzamide is CC[C@@H](Oc1ccccc1)C(=O)N(C)Cc1ccc(C(=O)NC)cc1.
What is the InChIKey of N-methyl-4-[[methyl-[(2R)-2-phenoxybutanoyl]amino]methyl]benzamide?
The InChIKey is ITJSIIVQYWUKPZ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-18(25-17-8-6-5-7-9-17)20(24)22(3)14-15-10-12-16(13-11-15)19(23)21-2/h5-13,18H,4,14H2,1-3H3,(H,21,23)/t18-/m1/s1.
What are the key properties of N-methyl-4-[[methyl-[(2R)-2-phenoxybutanoyl]amino]methyl]benzamide?
N-methyl-4-[[methyl-[(2R)-2-phenoxybutanoyl]amino]methyl]benzamide has a molecular weight of 340.42 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[(2R)-2-phenoxybutanoyl]amino]methyl]benzamide is sourced from PubChem (CID 8965470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).