N-[(2,4-dimethylphenyl)carbamoyl]-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]propanamide

C22H29N3O3 — CID 55533625

IUPACN-[(2,4-dimethylphenyl)carbamoyl]-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]propanamide
SMILESCc1cccc(OCCN(C)C(C)C(=O)NC(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C22H29N3O3/c1-15-7-6-8-19(14-15)28-12-11-25(5)18(4)21(26)24-22(27)23-20-10-9-16(2)13-17(20)3/h6-10,13-14,18H,11-12H2,1-5H3,(H2,23,24,26,27)
InChIKeyDBMGHXBGOHKTEO-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.66
Rot. Bonds7

About N-[(2,4-dimethylphenyl)carbamoyl]-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]propanamide

N-[(2,4-dimethylphenyl)carbamoyl]-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]propanamide (PubChem CID 55533625) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)carbamoyl]-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]propanamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)carbamoyl]-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]propanamide
PubChem CID55533625
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[(2,4-dimethylphenyl)carbamoyl]-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]propanamide
SMILESCc1cccc(OCCN(C)C(C)C(=O)NC(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C22H29N3O3/c1-15-7-6-8-19(14-15)28-12-11-25(5)18(4)21(26)24-22(27)23-20-10-9-16(2)13-17(20)3/h6-10,13-14,18H,11-12H2,1-5H3,(H2,23,24,26,27)
InChIKeyDBMGHXBGOHKTEO-UHFFFAOYSA-N
XLogP3.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]propanamide
CID 78818766
N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 26426433
N-(2,4-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931062
1-(2,4-dimethylphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973028
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 86918944
2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119913405
(2S)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 94453898
N-[(2,4-dimethylphenyl)carbamoyl]-2-(3-fluorophenoxy)acetamide
CID 7834460
N-(3-acetamidophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 86919247
1-(4-chloro-2-methylphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969960
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 111750443
N-(2,4-difluorophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 18094905

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]propanamide?
The IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]propanamide (CID 55533625) is N-[(2,4-dimethylphenyl)carbamoyl]-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]propanamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)carbamoyl]-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]propanamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)carbamoyl]-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]propanamide is Cc1cccc(OCCN(C)C(C)C(=O)NC(=O)Nc2ccc(C)cc2C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)carbamoyl]-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]propanamide?
The InChIKey is DBMGHXBGOHKTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15-7-6-8-19(14-15)28-12-11-25(5)18(4)21(26)24-22(27)23-20-10-9-16(2)13-17(20)3/h6-10,13-14,18H,11-12H2,1-5H3,(H2,23,24,26,27).
What are the key properties of N-[(2,4-dimethylphenyl)carbamoyl]-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]propanamide?
N-[(2,4-dimethylphenyl)carbamoyl]-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]propanamide has a molecular weight of 383.49 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)carbamoyl]-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]propanamide is sourced from PubChem (CID 55533625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).