N-[2-(4-methoxyphenyl)ethyl]-2-(phenylcarbamoylamino)acetamide

C18H21N3O3 — CID 42158481

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-(phenylcarbamoylamino)acetamide
SMILESCOc1ccc(CCNC(=O)CNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H21N3O3/c1-24-16-9-7-14(8-10-16)11-12-19-17(22)13-20-18(23)21-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyWKVNPKHKTUTIFP-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.18
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-2-(phenylcarbamoylamino)acetamide

N-[2-(4-methoxyphenyl)ethyl]-2-(phenylcarbamoylamino)acetamide (PubChem CID 42158481) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-(phenylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-(phenylcarbamoylamino)acetamide
PubChem CID42158481
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-(phenylcarbamoylamino)acetamide
SMILESCOc1ccc(CCNC(=O)CNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H21N3O3/c1-24-16-9-7-14(8-10-16)11-12-19-17(22)13-20-18(23)21-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyWKVNPKHKTUTIFP-UHFFFAOYSA-N
XLogP2.18
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-N'-phenylpropanediamide
CID 108948790
1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea
CID 108867012
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 27548820
N-[2-(4-methoxyphenyl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
CID 112993636
1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 727799
4-[2-(4-methoxyphenyl)ethylcarbamoylamino]benzenesulfonic acid
CID 108901850
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 55696660
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108896191
1-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenylurea
CID 968636
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
2-[[N-ethyl-N'-[(4-methoxyphenyl)methyl]carbamimidoyl]amino]-N-(2-phenylethyl)acetamide
CID 111183486
2-(4-acetamidophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2461039

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(phenylcarbamoylamino)acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(phenylcarbamoylamino)acetamide (CID 42158481) is N-[2-(4-methoxyphenyl)ethyl]-2-(phenylcarbamoylamino)acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-(phenylcarbamoylamino)acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-(phenylcarbamoylamino)acetamide is COc1ccc(CCNC(=O)CNC(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-(phenylcarbamoylamino)acetamide?
The InChIKey is WKVNPKHKTUTIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-24-16-9-7-14(8-10-16)11-12-19-17(22)13-20-18(23)21-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,22)(H2,20,21,23).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-(phenylcarbamoylamino)acetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-(phenylcarbamoylamino)acetamide has a molecular weight of 327.38 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-(phenylcarbamoylamino)acetamide is sourced from PubChem (CID 42158481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).