N-[2-(4-methoxyphenyl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide

C15H23N3O3 — CID 112993636

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
SMILESCOc1ccc(CCNC(=O)CNC(=O)NC(C)C)cc1
InChIInChI=1S/C15H23N3O3/c1-11(2)18-15(20)17-10-14(19)16-9-8-12-4-6-13(21-3)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,16,19)(H2,17,18,20)
InChIKeyMRZWBWGANNRZRW-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.06
Rot. Bonds7

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

N-[2-(4-methoxyphenyl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide (PubChem CID 112993636) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
PubChem CID112993636
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
SMILESCOc1ccc(CCNC(=O)CNC(=O)NC(C)C)cc1
InChIInChI=1S/C15H23N3O3/c1-11(2)18-15(20)17-10-14(19)16-9-8-12-4-6-13(21-3)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,16,19)(H2,17,18,20)
InChIKeyMRZWBWGANNRZRW-UHFFFAOYSA-N
XLogP1.06
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-(phenylcarbamoylamino)acetamide
CID 42158481
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 27548820
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxohexanamide
CID 166676905
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 24507139
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-methylpentanoic acid
CID 3724243
1-[1-(4-hydroxyphenyl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 60577862
4-fluoro-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 27548793
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-propan-2-ylguanidine
CID 111125708
2-[2-(4-methoxyphenyl)ethylamino]-N-propylacetamide
CID 28574182

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide (CID 112993636) is N-[2-(4-methoxyphenyl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide is COc1ccc(CCNC(=O)CNC(=O)NC(C)C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide?
The InChIKey is MRZWBWGANNRZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(2)18-15(20)17-10-14(19)16-9-8-12-4-6-13(21-3)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,16,19)(H2,17,18,20).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide has a molecular weight of 293.37 g/mol, XLogP of 1.06, 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-(propan-2-ylcarbamoylamino)acetamide is sourced from PubChem (CID 112993636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).