N-(2-ethylphenyl)-2-[4-(4-methoxyphenyl)butan-2-ylcarbamoylamino]acetamide

C22H29N3O3 — CID 60595680

IUPACN-(2-ethylphenyl)-2-[4-(4-methoxyphenyl)butan-2-ylcarbamoylamino]acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)NC(C)CCc1ccc(OC)cc1
InChIInChI=1S/C22H29N3O3/c1-4-18-7-5-6-8-20(18)25-21(26)15-23-22(27)24-16(2)9-10-17-11-13-19(28-3)14-12-17/h5-8,11-14,16H,4,9-10,15H2,1-3H3,(H,25,26)(H2,23,24,27)
InChIKeyREVABYOGPCOHIW-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.52
Rot. Bonds9

About N-(2-ethylphenyl)-2-[4-(4-methoxyphenyl)butan-2-ylcarbamoylamino]acetamide

N-(2-ethylphenyl)-2-[4-(4-methoxyphenyl)butan-2-ylcarbamoylamino]acetamide (PubChem CID 60595680) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-(4-methoxyphenyl)butan-2-ylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-(4-methoxyphenyl)butan-2-ylcarbamoylamino]acetamide
PubChem CID60595680
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-(2-ethylphenyl)-2-[4-(4-methoxyphenyl)butan-2-ylcarbamoylamino]acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)NC(C)CCc1ccc(OC)cc1
InChIInChI=1S/C22H29N3O3/c1-4-18-7-5-6-8-20(18)25-21(26)15-23-22(27)24-16(2)9-10-17-11-13-19(28-3)14-12-17/h5-8,11-14,16H,4,9-10,15H2,1-3H3,(H,25,26)(H2,23,24,27)
InChIKeyREVABYOGPCOHIW-UHFFFAOYSA-N
XLogP3.52
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea
CID 168974100
1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 17379696
N-[2-(2-ethylanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)butanamide
CID 26905201
cyclopropyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium
CID 8770863
1-(3-ethoxypropyl)-3-[(2S)-4-(4-methoxyphenyl)butan-2-yl]urea
CID 95192114
N-[2-(4-methoxyphenyl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
CID 112993636
1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-pyridin-2-ylethyl)urea
CID 95178027
ethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate
CID 54351907
N-(2-ethylphenyl)-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964450
[2-(2-ethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9304175
2-[2-(4-methoxyphenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3226692
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[4-(4-methoxyphenyl)butan-2-yl]urea
CID 60595873

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-(4-methoxyphenyl)butan-2-ylcarbamoylamino]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[4-(4-methoxyphenyl)butan-2-ylcarbamoylamino]acetamide (CID 60595680) is N-(2-ethylphenyl)-2-[4-(4-methoxyphenyl)butan-2-ylcarbamoylamino]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-(4-methoxyphenyl)butan-2-ylcarbamoylamino]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-(4-methoxyphenyl)butan-2-ylcarbamoylamino]acetamide is CCc1ccccc1NC(=O)CNC(=O)NC(C)CCc1ccc(OC)cc1.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-(4-methoxyphenyl)butan-2-ylcarbamoylamino]acetamide?
The InChIKey is REVABYOGPCOHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-4-18-7-5-6-8-20(18)25-21(26)15-23-22(27)24-16(2)9-10-17-11-13-19(28-3)14-12-17/h5-8,11-14,16H,4,9-10,15H2,1-3H3,(H,25,26)(H2,23,24,27).
What are the key properties of N-(2-ethylphenyl)-2-[4-(4-methoxyphenyl)butan-2-ylcarbamoylamino]acetamide?
N-(2-ethylphenyl)-2-[4-(4-methoxyphenyl)butan-2-ylcarbamoylamino]acetamide has a molecular weight of 383.49 g/mol, XLogP of 3.52, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[4-(4-methoxyphenyl)butan-2-ylcarbamoylamino]acetamide is sourced from PubChem (CID 60595680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).