3-(phenylcarbamoylamino)-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide

C20H22F3N3O3 — CID 55336790

IUPAC3-(phenylcarbamoylamino)-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)CCNC(=O)Nc1ccccc1
InChIInChI=1S/C20H22F3N3O3/c1-2-12-29-17-9-8-14(20(21,22)23)13-16(17)26-18(27)10-11-24-19(28)25-15-6-4-3-5-7-15/h3-9,13H,2,10-12H2,1H3,(H,26,27)(H2,24,25,28)
InChIKeyUTRXMMGGSCERDA-UHFFFAOYSA-N
MW409.41 g/mol
LogP4.64
Rot. Bonds8

About 3-(phenylcarbamoylamino)-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide

3-(phenylcarbamoylamino)-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 55336790) has the molecular formula C20H22F3N3O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is 3-(phenylcarbamoylamino)-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(phenylcarbamoylamino)-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
PubChem CID55336790
Molecular FormulaC20H22F3N3O3
Molecular Weight409.41 g/mol
Exact Mass409.16
IUPAC Name3-(phenylcarbamoylamino)-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)CCNC(=O)Nc1ccccc1
InChIInChI=1S/C20H22F3N3O3/c1-2-12-29-17-9-8-14(20(21,22)23)13-16(17)26-18(27)10-11-24-19(28)25-15-6-4-3-5-7-15/h3-9,13H,2,10-12H2,1H3,(H,26,27)(H2,24,25,28)
InChIKeyUTRXMMGGSCERDA-UHFFFAOYSA-N
XLogP4.64
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 112765185
4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120558845
2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 112765166
2-(2-acetamidophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7867264
2-(2-formylphenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7762762
4-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 26175480
N-benzyl-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide
CID 42070595
4-bromo-N-[3-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide
CID 26177457
2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
CID 698335
2-(2-nitrophenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 31950827
2-(4-methoxyphenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 8800716

Frequently Asked Questions

What is the IUPAC name of 3-(phenylcarbamoylamino)-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(phenylcarbamoylamino)-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide (CID 55336790) is 3-(phenylcarbamoylamino)-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(phenylcarbamoylamino)-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(phenylcarbamoylamino)-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide is CCCOc1ccc(C(F)(F)F)cc1NC(=O)CCNC(=O)Nc1ccccc1.
What is the InChIKey of 3-(phenylcarbamoylamino)-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is UTRXMMGGSCERDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3/c1-2-12-29-17-9-8-14(20(21,22)23)13-16(17)26-18(27)10-11-24-19(28)25-15-6-4-3-5-7-15/h3-9,13H,2,10-12H2,1H3,(H,26,27)(H2,24,25,28).
What are the key properties of 3-(phenylcarbamoylamino)-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide?
3-(phenylcarbamoylamino)-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 409.41 g/mol, XLogP of 4.64, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylcarbamoylamino)-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 55336790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).