N-methyl-2-[(4-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanamide

C23H30N2O3 — CID 132657455

IUPACN-methyl-2-[(4-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanamide
SMILESCNC(=O)C(C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C
InChIInChI=1S/C23H30N2O3/c1-16(2)20-8-6-7-9-21(20)28-15-22(26)25(18(4)23(27)24-5)14-19-12-10-17(3)11-13-19/h6-13,16,18H,14-15H2,1-5H3,(H,24,27)
InChIKeyKUZNIWZJLJDWNT-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.66
Rot. Bonds8

About N-methyl-2-[(4-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanamide

N-methyl-2-[(4-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanamide (PubChem CID 132657455) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-methyl-2-[(4-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[(4-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanamide
PubChem CID132657455
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-methyl-2-[(4-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanamide
SMILESCNC(=O)C(C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C
InChIInChI=1S/C23H30N2O3/c1-16(2)20-8-6-7-9-21(20)28-15-22(26)25(18(4)23(27)24-5)14-19-12-10-17(3)11-13-19/h6-13,16,18H,14-15H2,1-5H3,(H,24,27)
InChIKeyKUZNIWZJLJDWNT-UHFFFAOYSA-N
XLogP3.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-bromophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-methylpropanamide
CID 100654834
(2R)-2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]-N-methylpropanamide
CID 100561244
N-cyclopentyl-2-[(4-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide
CID 132612919
2-[(4-chlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 132665355
2-[benzyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-cyclopentylpropanamide
CID 132947940
N-butan-2-yl-2-[(4-fluorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 132710989
2-[[2-(2-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132660881
(2R)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100654908
(2S)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100654897
2-[(4-bromophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-methylpropanamide
CID 132610978
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-ethylpropanamide
CID 132658928
2-[benzyl-(2-phenoxyacetyl)amino]-N-methylpropanamide
CID 132651116

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanamide?
The IUPAC name of N-methyl-2-[(4-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanamide (CID 132657455) is N-methyl-2-[(4-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanamide.
What is the SMILES notation for N-methyl-2-[(4-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanamide?
The canonical SMILES for N-methyl-2-[(4-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanamide is CNC(=O)C(C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C.
What is the InChIKey of N-methyl-2-[(4-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanamide?
The InChIKey is KUZNIWZJLJDWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-16(2)20-8-6-7-9-21(20)28-15-22(26)25(18(4)23(27)24-5)14-19-12-10-17(3)11-13-19/h6-13,16,18H,14-15H2,1-5H3,(H,24,27).
What are the key properties of N-methyl-2-[(4-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanamide?
N-methyl-2-[(4-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanamide has a molecular weight of 382.50 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanamide is sourced from PubChem (CID 132657455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).