3-amino-N-[2-ethyl-5-[(2-phenoxyacetyl)amino]phenyl]propanamide

C19H23N3O3 — CID 82034547

IUPAC3-amino-N-[2-ethyl-5-[(2-phenoxyacetyl)amino]phenyl]propanamide
SMILESCCc1ccc(NC(=O)COc2ccccc2)cc1NC(=O)CCN
InChIInChI=1S/C19H23N3O3/c1-2-14-8-9-15(12-17(14)22-18(23)10-11-20)21-19(24)13-25-16-6-4-3-5-7-16/h3-9,12H,2,10-11,13,20H2,1H3,(H,21,24)(H,22,23)
InChIKeyWZNCPKJTUQUQQG-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.55
Rot. Bonds8

About 3-amino-N-[2-ethyl-5-[(2-phenoxyacetyl)amino]phenyl]propanamide

3-amino-N-[2-ethyl-5-[(2-phenoxyacetyl)amino]phenyl]propanamide (PubChem CID 82034547) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-amino-N-[2-ethyl-5-[(2-phenoxyacetyl)amino]phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-ethyl-5-[(2-phenoxyacetyl)amino]phenyl]propanamide
PubChem CID82034547
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-amino-N-[2-ethyl-5-[(2-phenoxyacetyl)amino]phenyl]propanamide
SMILESCCc1ccc(NC(=O)COc2ccccc2)cc1NC(=O)CCN
InChIInChI=1S/C19H23N3O3/c1-2-14-8-9-15(12-17(14)22-18(23)10-11-20)21-19(24)13-25-16-6-4-3-5-7-16/h3-9,12H,2,10-11,13,20H2,1H3,(H,21,24)(H,22,23)
InChIKeyWZNCPKJTUQUQQG-UHFFFAOYSA-N
XLogP2.55
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-ethyl-5-(phenylcarbamoylamino)phenyl]propanamide
CID 82034549
N-[3-(3-aminopropanoylamino)-4-ethylphenyl]-2,2-dimethylpropanamide
CID 82034526
N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide
CID 108749320
3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide
CID 82034579
N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]pentanamide
CID 39185216
2-amino-N-[3-[[2-(3-ethylphenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 39192502
N-(5-acetamido-2-ethylphenyl)-2-aminoacetamide
CID 39185204
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
2-amino-N-[3-[[2-(4-ethylphenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 39192498
N-(3-amino-4-ethylphenyl)-2-(3-methoxyphenoxy)acetamide
CID 28867334
N-(3-amino-4-ethylphenyl)-2-(3-ethylphenoxy)acetamide
CID 28867409
ethyl N-[3-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]carbamate
CID 30011225

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-ethyl-5-[(2-phenoxyacetyl)amino]phenyl]propanamide?
The IUPAC name of 3-amino-N-[2-ethyl-5-[(2-phenoxyacetyl)amino]phenyl]propanamide (CID 82034547) is 3-amino-N-[2-ethyl-5-[(2-phenoxyacetyl)amino]phenyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-ethyl-5-[(2-phenoxyacetyl)amino]phenyl]propanamide?
The canonical SMILES for 3-amino-N-[2-ethyl-5-[(2-phenoxyacetyl)amino]phenyl]propanamide is CCc1ccc(NC(=O)COc2ccccc2)cc1NC(=O)CCN.
What is the InChIKey of 3-amino-N-[2-ethyl-5-[(2-phenoxyacetyl)amino]phenyl]propanamide?
The InChIKey is WZNCPKJTUQUQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-14-8-9-15(12-17(14)22-18(23)10-11-20)21-19(24)13-25-16-6-4-3-5-7-16/h3-9,12H,2,10-11,13,20H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 3-amino-N-[2-ethyl-5-[(2-phenoxyacetyl)amino]phenyl]propanamide?
3-amino-N-[2-ethyl-5-[(2-phenoxyacetyl)amino]phenyl]propanamide has a molecular weight of 341.41 g/mol, XLogP of 2.55, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-ethyl-5-[(2-phenoxyacetyl)amino]phenyl]propanamide is sourced from PubChem (CID 82034547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).