N-benzyl-N-ethyl-2-[1-(4-methoxyphenyl)propylcarbamoylamino]acetamide

C22H29N3O3 — CID 60583873

IUPACN-benzyl-N-ethyl-2-[1-(4-methoxyphenyl)propylcarbamoylamino]acetamide
SMILESCCC(NC(=O)NCC(=O)N(CC)Cc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C22H29N3O3/c1-4-20(18-11-13-19(28-3)14-12-18)24-22(27)23-15-21(26)25(5-2)16-17-9-7-6-8-10-17/h6-14,20H,4-5,15-16H2,1-3H3,(H2,23,24,27)
InChIKeyQGRYNYWLXLSKIO-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.49
Rot. Bonds9

About N-benzyl-N-ethyl-2-[1-(4-methoxyphenyl)propylcarbamoylamino]acetamide

N-benzyl-N-ethyl-2-[1-(4-methoxyphenyl)propylcarbamoylamino]acetamide (PubChem CID 60583873) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-[1-(4-methoxyphenyl)propylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-[1-(4-methoxyphenyl)propylcarbamoylamino]acetamide
PubChem CID60583873
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-benzyl-N-ethyl-2-[1-(4-methoxyphenyl)propylcarbamoylamino]acetamide
SMILESCCC(NC(=O)NCC(=O)N(CC)Cc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C22H29N3O3/c1-4-20(18-11-13-19(28-3)14-12-18)24-22(27)23-15-21(26)25(5-2)16-17-9-7-6-8-10-17/h6-14,20H,4-5,15-16H2,1-3H3,(H2,23,24,27)
InChIKeyQGRYNYWLXLSKIO-UHFFFAOYSA-N
XLogP3.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
1-[1-(4-methoxyphenyl)propyl]-3-propylurea
CID 133230838
1-(2-hydroxy-2-phenylpropyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 111335702
N-benzyl-N-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 108998980
N-benzyl-N-ethyl-2-(phenylcarbamoylamino)acetamide
CID 112992911
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 111454052
1-[(2-methoxyphenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 134042538
N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2,2-diphenylacetamide
CID 112992893
1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359
1-[(2-chlorophenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 134042604
2-ethoxy-N-[2-[ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 55593757
N-[1-(4-methoxyphenyl)propyl]-2,2-diphenylacetamide
CID 55371775

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-[1-(4-methoxyphenyl)propylcarbamoylamino]acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-[1-(4-methoxyphenyl)propylcarbamoylamino]acetamide (CID 60583873) is N-benzyl-N-ethyl-2-[1-(4-methoxyphenyl)propylcarbamoylamino]acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-[1-(4-methoxyphenyl)propylcarbamoylamino]acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-[1-(4-methoxyphenyl)propylcarbamoylamino]acetamide is CCC(NC(=O)NCC(=O)N(CC)Cc1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of N-benzyl-N-ethyl-2-[1-(4-methoxyphenyl)propylcarbamoylamino]acetamide?
The InChIKey is QGRYNYWLXLSKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-4-20(18-11-13-19(28-3)14-12-18)24-22(27)23-15-21(26)25(5-2)16-17-9-7-6-8-10-17/h6-14,20H,4-5,15-16H2,1-3H3,(H2,23,24,27).
What are the key properties of N-benzyl-N-ethyl-2-[1-(4-methoxyphenyl)propylcarbamoylamino]acetamide?
N-benzyl-N-ethyl-2-[1-(4-methoxyphenyl)propylcarbamoylamino]acetamide has a molecular weight of 383.49 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-[1-(4-methoxyphenyl)propylcarbamoylamino]acetamide is sourced from PubChem (CID 60583873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).