N-(4-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]propanamide

C15H23N3O2 — CID 61450272

IUPACN-(4-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]propanamide
SMILESCOCCN(C1CC1)C(C)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C15H23N3O2/c1-11(18(9-10-20-2)14-7-8-14)15(19)17-13-5-3-12(16)4-6-13/h3-6,11,14H,7-10,16H2,1-2H3,(H,17,19)
InChIKeyDUUVWKBITYIEKE-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.71
Rot. Bonds7

About N-(4-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]propanamide

N-(4-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]propanamide (PubChem CID 61450272) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]propanamide
PubChem CID61450272
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(4-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]propanamide
SMILESCOCCN(C1CC1)C(C)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C15H23N3O2/c1-11(18(9-10-20-2)14-7-8-14)15(19)17-13-5-3-12(16)4-6-13/h3-6,11,14H,7-10,16H2,1-2H3,(H,17,19)
InChIKeyDUUVWKBITYIEKE-UHFFFAOYSA-N
XLogP1.71
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[1-[cyclopropyl(2-methoxyethyl)amino]ethyl]aniline
CID 54948492
N-(3-aminophenyl)-2-[cyclopropyl(3-methylbutyl)amino]propanamide
CID 78973756
1-cyclopropyl-3-[4-(1-hydroxyethyl)phenyl]-1-(2-methoxyethyl)urea
CID 61455441
3-(4-aminophenyl)-1-ethyl-1-(2-methoxyethyl)urea
CID 54948448
N-(4-aminophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide
CID 63696461
N-(3-aminophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
CID 61429180
2-[2-aminoethyl(cyclopentyl)amino]-N-phenylpropanamide
CID 63761281
N-(3-amino-4-chlorophenyl)-2-[butyl(cyclopropyl)amino]propanamide
CID 61440840
4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 61452845
N-(4-aminophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
CID 61242810
2-[cyclobutyl(3-hydroxypropyl)amino]-N-phenylpropanamide
CID 102858396
2-[(3-aminophenyl)methyl-cyclopropylamino]-N-(2-methoxyethyl)propanamide
CID 43460860

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]propanamide?
The IUPAC name of N-(4-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]propanamide (CID 61450272) is N-(4-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]propanamide.
What is the SMILES notation for N-(4-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]propanamide?
The canonical SMILES for N-(4-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]propanamide is COCCN(C1CC1)C(C)C(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]propanamide?
The InChIKey is DUUVWKBITYIEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(18(9-10-20-2)14-7-8-14)15(19)17-13-5-3-12(16)4-6-13/h3-6,11,14H,7-10,16H2,1-2H3,(H,17,19).
What are the key properties of N-(4-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]propanamide?
N-(4-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]propanamide is sourced from PubChem (CID 61450272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).