N-(3-aminophenyl)-N-[(4-ethoxyphenyl)methylcarbamoyl]acetamide

C18H21N3O3 — CID 108884466

IUPACN-(3-aminophenyl)-N-[(4-ethoxyphenyl)methylcarbamoyl]acetamide
SMILESCCOc1ccc(CNC(=O)N(C(C)=O)c2cccc(N)c2)cc1
InChIInChI=1S/C18H21N3O3/c1-3-24-17-9-7-14(8-10-17)12-20-18(23)21(13(2)22)16-6-4-5-15(19)11-16/h4-11H,3,12,19H2,1-2H3,(H,20,23)
InChIKeyKIYSAODIAACDOP-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.93
Rot. Bonds5

About N-(3-aminophenyl)-N-[(4-ethoxyphenyl)methylcarbamoyl]acetamide

N-(3-aminophenyl)-N-[(4-ethoxyphenyl)methylcarbamoyl]acetamide (PubChem CID 108884466) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-[(4-ethoxyphenyl)methylcarbamoyl]acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-[(4-ethoxyphenyl)methylcarbamoyl]acetamide
PubChem CID108884466
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-(3-aminophenyl)-N-[(4-ethoxyphenyl)methylcarbamoyl]acetamide
SMILESCCOc1ccc(CNC(=O)N(C(C)=O)c2cccc(N)c2)cc1
InChIInChI=1S/C18H21N3O3/c1-3-24-17-9-7-14(8-10-17)12-20-18(23)21(13(2)22)16-6-4-5-15(19)11-16/h4-11H,3,12,19H2,1-2H3,(H,20,23)
InChIKeyKIYSAODIAACDOP-UHFFFAOYSA-N
XLogP2.93
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide
CID 108899099
N'-acetyl-N'-(3-aminophenyl)-N-benzyloxamide
CID 108508925
3-[(4-ethoxyphenyl)methyl]-1,1-dipropylurea
CID 108884488
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
N'-[(4-ethoxyphenyl)methyl]oxamide
CID 115191812
N-[(4-ethoxyphenyl)methyl]-3-oxobutanamide
CID 115176377
3-[(4-ethoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108884391
3-[(4-ethoxyphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 108884453
N-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide
CID 60918064
1-[(4-ethoxyphenyl)methyl]-3-ethylurea
CID 108884423
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
1-[(3-bromophenyl)methyl]-3-[(4-ethoxyphenyl)methyl]urea
CID 108884600

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-[(4-ethoxyphenyl)methylcarbamoyl]acetamide?
The IUPAC name of N-(3-aminophenyl)-N-[(4-ethoxyphenyl)methylcarbamoyl]acetamide (CID 108884466) is N-(3-aminophenyl)-N-[(4-ethoxyphenyl)methylcarbamoyl]acetamide.
What is the SMILES notation for N-(3-aminophenyl)-N-[(4-ethoxyphenyl)methylcarbamoyl]acetamide?
The canonical SMILES for N-(3-aminophenyl)-N-[(4-ethoxyphenyl)methylcarbamoyl]acetamide is CCOc1ccc(CNC(=O)N(C(C)=O)c2cccc(N)c2)cc1.
What is the InChIKey of N-(3-aminophenyl)-N-[(4-ethoxyphenyl)methylcarbamoyl]acetamide?
The InChIKey is KIYSAODIAACDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-24-17-9-7-14(8-10-17)12-20-18(23)21(13(2)22)16-6-4-5-15(19)11-16/h4-11H,3,12,19H2,1-2H3,(H,20,23).
What are the key properties of N-(3-aminophenyl)-N-[(4-ethoxyphenyl)methylcarbamoyl]acetamide?
N-(3-aminophenyl)-N-[(4-ethoxyphenyl)methylcarbamoyl]acetamide has a molecular weight of 327.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-[(4-ethoxyphenyl)methylcarbamoyl]acetamide is sourced from PubChem (CID 108884466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).