N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-(3-propan-2-ylphenoxy)acetamide

C22H29N3O3 — CID 55693906

IUPACN-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-(3-propan-2-ylphenoxy)acetamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)COc2cccc(C(C)C)c2)cc1
InChIInChI=1S/C22H29N3O3/c1-15(2)18-6-5-7-20(12-18)28-14-21(26)23-13-17-8-10-19(11-9-17)25-22(27)24-16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,23,26)(H2,24,25,27)
InChIKeyOYUJJWHIEZNHNG-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.04
Rot. Bonds8

About N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-(3-propan-2-ylphenoxy)acetamide

N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-(3-propan-2-ylphenoxy)acetamide (PubChem CID 55693906) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-(3-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-(3-propan-2-ylphenoxy)acetamide
PubChem CID55693906
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-(3-propan-2-ylphenoxy)acetamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)COc2cccc(C(C)C)c2)cc1
InChIInChI=1S/C22H29N3O3/c1-15(2)18-6-5-7-20(12-18)28-14-21(26)23-13-17-8-10-19(11-9-17)25-22(27)24-16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,23,26)(H2,24,25,27)
InChIKeyOYUJJWHIEZNHNG-UHFFFAOYSA-N
XLogP4.04
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-hydroxyethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 110884628
N-(4-iodophenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19176026
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 55693837
2-(2,4-dichlorophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 55693778
N-[(2-chlorophenyl)methyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 7893515
2-[3-[[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]methyl]phenoxy]acetic acid
CID 119246830
1-[4-[[(3-ethoxyphenyl)methylamino]methyl]phenyl]-3-propan-2-ylurea
CID 47052758
2-(3-propan-2-ylphenoxy)-N-propylacetamide
CID 60624182
2-[3-(1-hydroxyethyl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 110884631
methyl N-[4-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]phenyl]carbamate
CID 60513687
1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
CID 47173712
N-[(4-acetamidophenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 24685838

Frequently Asked Questions

What is the IUPAC name of N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-(3-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-(3-propan-2-ylphenoxy)acetamide (CID 55693906) is N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-(3-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-(3-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-(3-propan-2-ylphenoxy)acetamide is CC(C)NC(=O)Nc1ccc(CNC(=O)COc2cccc(C(C)C)c2)cc1.
What is the InChIKey of N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-(3-propan-2-ylphenoxy)acetamide?
The InChIKey is OYUJJWHIEZNHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15(2)18-6-5-7-20(12-18)28-14-21(26)23-13-17-8-10-19(11-9-17)25-22(27)24-16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,23,26)(H2,24,25,27).
What are the key properties of N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-(3-propan-2-ylphenoxy)acetamide?
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-(3-propan-2-ylphenoxy)acetamide has a molecular weight of 383.49 g/mol, XLogP of 4.04, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-(3-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 55693906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).