2-(3-ethoxypropylcarbamoylamino)-N-(4-fluorophenyl)acetamide

C14H20FN3O3 — CID 134003769

IUPAC2-(3-ethoxypropylcarbamoylamino)-N-(4-fluorophenyl)acetamide
SMILESCCOCCCNC(=O)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H20FN3O3/c1-2-21-9-3-8-16-14(20)17-10-13(19)18-12-6-4-11(15)5-7-12/h4-7H,2-3,8-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyPHSTZMRDMKSCJA-UHFFFAOYSA-N
MW297.33 g/mol
LogP1.49
Rot. Bonds8

About 2-(3-ethoxypropylcarbamoylamino)-N-(4-fluorophenyl)acetamide

2-(3-ethoxypropylcarbamoylamino)-N-(4-fluorophenyl)acetamide (PubChem CID 134003769) has the molecular formula C14H20FN3O3 and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-(3-ethoxypropylcarbamoylamino)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-ethoxypropylcarbamoylamino)-N-(4-fluorophenyl)acetamide
PubChem CID134003769
Molecular FormulaC14H20FN3O3
Molecular Weight297.33 g/mol
Exact Mass297.15
IUPAC Name2-(3-ethoxypropylcarbamoylamino)-N-(4-fluorophenyl)acetamide
SMILESCCOCCCNC(=O)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H20FN3O3/c1-2-21-9-3-8-16-14(20)17-10-13(19)18-12-6-4-11(15)5-7-12/h4-7H,2-3,8-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyPHSTZMRDMKSCJA-UHFFFAOYSA-N
XLogP1.49
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-2-[[N-[3-(2-methoxyethoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111404781
1-(4-aminophenyl)-3-(3-ethoxypropyl)urea
CID 43469047
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 18160151
2-[(5-fluoro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49277168
N-[4-(3-ethoxypropylamino)phenyl]acetamide
CID 65176145
N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192241
1-(4-fluorophenyl)-3-octadecylurea
CID 4518520
2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 60605382
1-(3-ethoxypropyl)-3-ethylurea
CID 108890430
N-(4-fluorophenyl)-2-(propylamino)acetamide
CID 28586343
1-(3-ethoxypropyl)-3-[(2-fluorophenyl)methyl]urea
CID 108897476
2-[4-(2-ethoxyethoxy)phenoxy]-N-(4-fluorophenyl)acetamide
CID 4732952

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropylcarbamoylamino)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(3-ethoxypropylcarbamoylamino)-N-(4-fluorophenyl)acetamide (CID 134003769) is 2-(3-ethoxypropylcarbamoylamino)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-ethoxypropylcarbamoylamino)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-ethoxypropylcarbamoylamino)-N-(4-fluorophenyl)acetamide is CCOCCCNC(=O)NCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(3-ethoxypropylcarbamoylamino)-N-(4-fluorophenyl)acetamide?
The InChIKey is PHSTZMRDMKSCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3/c1-2-21-9-3-8-16-14(20)17-10-13(19)18-12-6-4-11(15)5-7-12/h4-7H,2-3,8-10H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-(3-ethoxypropylcarbamoylamino)-N-(4-fluorophenyl)acetamide?
2-(3-ethoxypropylcarbamoylamino)-N-(4-fluorophenyl)acetamide has a molecular weight of 297.33 g/mol, XLogP of 1.49, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropylcarbamoylamino)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 134003769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).