N-[1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide

C20H24N2O3 — CID 86909740

IUPACN-[1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide
SMILESCc1ccccc1OCCN(C)C(=O)C(C)NC(=O)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-15-9-7-8-12-18(15)25-14-13-22(3)20(24)16(2)21-19(23)17-10-5-4-6-11-17/h4-12,16H,13-14H2,1-3H3,(H,21,23)
InChIKeyANPUSEJGDQADEP-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.65
Rot. Bonds7

About N-[1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide

N-[1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide (PubChem CID 86909740) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide
PubChem CID86909740
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide
SMILESCc1ccccc1OCCN(C)C(=O)C(C)NC(=O)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-15-9-7-8-12-18(15)25-14-13-22(3)20(24)16(2)21-19(23)17-10-5-4-6-11-17/h4-12,16H,13-14H2,1-3H3,(H,21,23)
InChIKeyANPUSEJGDQADEP-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(2-methoxyphenoxy)ethyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 55948305
2-chloro-N-[(2S)-1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide
CID 46688396
2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 103497587
3-benzamido-N,4-dimethyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 46409789
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 54869692
3-methyl-5-[methyl-[2-(2-methylphenoxy)ethyl]amino]-5-oxopentanoic acid
CID 62964902
2-[(2-fluorophenyl)sulfonylamino]-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 42892310
3-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-phenylpropanamide
CID 119695605
N-[1-[2-(2-fluorophenoxy)ethyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55431310
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 54869691
N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-oxobutanamide
CID 54876653
2-(azetidin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 116676237

Frequently Asked Questions

What is the IUPAC name of N-[1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide (CID 86909740) is N-[1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide is Cc1ccccc1OCCN(C)C(=O)C(C)NC(=O)c1ccccc1.
What is the InChIKey of N-[1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide?
The InChIKey is ANPUSEJGDQADEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15-9-7-8-12-18(15)25-14-13-22(3)20(24)16(2)21-19(23)17-10-5-4-6-11-17/h4-12,16H,13-14H2,1-3H3,(H,21,23).
What are the key properties of N-[1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide?
N-[1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide has a molecular weight of 340.42 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 86909740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).