N-(ethylcarbamoyl)-2-(4-propan-2-yloxyanilino)propanamide

C15H23N3O3 — CID 43123150

IUPACN-(ethylcarbamoyl)-2-(4-propan-2-yloxyanilino)propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C15H23N3O3/c1-5-16-15(20)18-14(19)11(4)17-12-6-8-13(9-7-12)21-10(2)3/h6-11,17H,5H2,1-4H3,(H2,16,18,19,20)
InChIKeyMXNLVPBIGSTZAM-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.12
Rot. Bonds6

About N-(ethylcarbamoyl)-2-(4-propan-2-yloxyanilino)propanamide

N-(ethylcarbamoyl)-2-(4-propan-2-yloxyanilino)propanamide (PubChem CID 43123150) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-(4-propan-2-yloxyanilino)propanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-(4-propan-2-yloxyanilino)propanamide
PubChem CID43123150
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-(ethylcarbamoyl)-2-(4-propan-2-yloxyanilino)propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C15H23N3O3/c1-5-16-15(20)18-14(19)11(4)17-12-6-8-13(9-7-12)21-10(2)3/h6-11,17H,5H2,1-4H3,(H2,16,18,19,20)
InChIKeyMXNLVPBIGSTZAM-UHFFFAOYSA-N
XLogP2.12
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[4-(4-ethoxyphenoxy)anilino]-N-(ethylcarbamoyl)propanamide
CID 32737082
2-(4-acetamidoanilino)-N-(ethylcarbamoyl)propanamide
CID 43083279
N-(ethylcarbamoyl)-2-[4-(propanoylamino)anilino]propanamide
CID 47065348
N-(ethylcarbamoyl)-2-[4-[2-(methylamino)-2-oxoethyl]anilino]propanamide
CID 86924151
N-pentan-2-yl-2-(4-propan-2-yloxyanilino)propanamide
CID 43123138
N-(2-methoxyethyl)-2-(4-propan-2-yloxyanilino)propanamide
CID 43123159
(2R)-N-(ethylcarbamoyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 28888999
2-(4-butan-2-yloxyanilino)-N-propylpropanamide
CID 3030788
N-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide
CID 43380765
N-(ethylcarbamoyl)-2-[1-(3-propan-2-yloxyphenyl)ethylamino]propanamide
CID 51088764
2-(3,4-dicyanoanilino)-N-(ethylcarbamoyl)propanamide
CID 107789245
(2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(ethylcarbamoyl)propanamide
CID 25408683

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-(4-propan-2-yloxyanilino)propanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-(4-propan-2-yloxyanilino)propanamide (CID 43123150) is N-(ethylcarbamoyl)-2-(4-propan-2-yloxyanilino)propanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-(4-propan-2-yloxyanilino)propanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-(4-propan-2-yloxyanilino)propanamide is CCNC(=O)NC(=O)C(C)Nc1ccc(OC(C)C)cc1.
What is the InChIKey of N-(ethylcarbamoyl)-2-(4-propan-2-yloxyanilino)propanamide?
The InChIKey is MXNLVPBIGSTZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-16-15(20)18-14(19)11(4)17-12-6-8-13(9-7-12)21-10(2)3/h6-11,17H,5H2,1-4H3,(H2,16,18,19,20).
What are the key properties of N-(ethylcarbamoyl)-2-(4-propan-2-yloxyanilino)propanamide?
N-(ethylcarbamoyl)-2-(4-propan-2-yloxyanilino)propanamide has a molecular weight of 293.37 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-(4-propan-2-yloxyanilino)propanamide is sourced from PubChem (CID 43123150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).