2-[3-[2-(3-propan-2-yloxyphenyl)ethylcarbamoylamino]phenyl]acetamide

C20H25N3O3 — CID 118791176

IUPAC2-[3-[2-(3-propan-2-yloxyphenyl)ethylcarbamoylamino]phenyl]acetamide
SMILESCC(C)Oc1cccc(CCNC(=O)Nc2cccc(CC(N)=O)c2)c1
InChIInChI=1S/C20H25N3O3/c1-14(2)26-18-8-4-5-15(12-18)9-10-22-20(25)23-17-7-3-6-16(11-17)13-19(21)24/h3-8,11-12,14H,9-10,13H2,1-2H3,(H2,21,24)(H2,22,23,25)
InChIKeyVUZVKCTZEYJRIM-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.87
Rot. Bonds8

About 2-[3-[2-(3-propan-2-yloxyphenyl)ethylcarbamoylamino]phenyl]acetamide

2-[3-[2-(3-propan-2-yloxyphenyl)ethylcarbamoylamino]phenyl]acetamide (PubChem CID 118791176) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[3-[2-(3-propan-2-yloxyphenyl)ethylcarbamoylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-[3-[2-(3-propan-2-yloxyphenyl)ethylcarbamoylamino]phenyl]acetamide
PubChem CID118791176
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-[3-[2-(3-propan-2-yloxyphenyl)ethylcarbamoylamino]phenyl]acetamide
SMILESCC(C)Oc1cccc(CCNC(=O)Nc2cccc(CC(N)=O)c2)c1
InChIInChI=1S/C20H25N3O3/c1-14(2)26-18-8-4-5-15(12-18)9-10-22-20(25)23-17-7-3-6-16(11-17)13-19(21)24/h3-8,11-12,14H,9-10,13H2,1-2H3,(H2,21,24)(H2,22,23,25)
InChIKeyVUZVKCTZEYJRIM-UHFFFAOYSA-N
XLogP2.87
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(3-methoxy-4-propan-2-yloxyphenyl)methylcarbamoylamino]phenyl]acetamide
CID 118795841
3-[3-[(3-propan-2-yloxyphenyl)carbamoylamino]phenyl]propanoic acid
CID 122094772
1-[4-(difluoromethoxy)phenyl]-3-[2-[3-(difluoromethoxy)phenyl]ethyl]urea
CID 59649481
methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]benzoate
CID 4999432
1-[3-(dimethylamino)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108901015
2-phenyl-N-(3-propan-2-yloxyphenyl)acetamide
CID 6458056
2-methylpropyl N-[3-(2-phenylethylcarbamoylamino)phenyl]carbamate
CID 60586505
2-[3-[(4-amino-4-oxobutyl)carbamoylamino]phenyl]acetic acid
CID 65345815
1-[(3-propan-2-yloxyphenyl)methyl]-3-[3-(pyridin-2-ylsulfanylmethyl)phenyl]urea
CID 56554852
N-(3-aminopropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119405627
1-[3-(1-hydroxyethyl)phenyl]-3-(2-phenylethyl)urea
CID 61347620
1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 5297462

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(3-propan-2-yloxyphenyl)ethylcarbamoylamino]phenyl]acetamide?
The IUPAC name of 2-[3-[2-(3-propan-2-yloxyphenyl)ethylcarbamoylamino]phenyl]acetamide (CID 118791176) is 2-[3-[2-(3-propan-2-yloxyphenyl)ethylcarbamoylamino]phenyl]acetamide.
What is the SMILES notation for 2-[3-[2-(3-propan-2-yloxyphenyl)ethylcarbamoylamino]phenyl]acetamide?
The canonical SMILES for 2-[3-[2-(3-propan-2-yloxyphenyl)ethylcarbamoylamino]phenyl]acetamide is CC(C)Oc1cccc(CCNC(=O)Nc2cccc(CC(N)=O)c2)c1.
What is the InChIKey of 2-[3-[2-(3-propan-2-yloxyphenyl)ethylcarbamoylamino]phenyl]acetamide?
The InChIKey is VUZVKCTZEYJRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(2)26-18-8-4-5-15(12-18)9-10-22-20(25)23-17-7-3-6-16(11-17)13-19(21)24/h3-8,11-12,14H,9-10,13H2,1-2H3,(H2,21,24)(H2,22,23,25).
What are the key properties of 2-[3-[2-(3-propan-2-yloxyphenyl)ethylcarbamoylamino]phenyl]acetamide?
2-[3-[2-(3-propan-2-yloxyphenyl)ethylcarbamoylamino]phenyl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 2.87, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(3-propan-2-yloxyphenyl)ethylcarbamoylamino]phenyl]acetamide is sourced from PubChem (CID 118791176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).