N-(3-aminopropyl)-3-(4-ethylphenoxy)propanamide

C14H22N2O2 — CID 110834162

IUPACN-(3-aminopropyl)-3-(4-ethylphenoxy)propanamide
SMILESCCc1ccc(OCCC(=O)NCCCN)cc1
InChIInChI=1S/C14H22N2O2/c1-2-12-4-6-13(7-5-12)18-11-8-14(17)16-10-3-9-15/h4-7H,2-3,8-11,15H2,1H3,(H,16,17)
InChIKeyBLJWGXXNHVXTJK-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.48
Rot. Bonds8

About N-(3-aminopropyl)-3-(4-ethylphenoxy)propanamide

N-(3-aminopropyl)-3-(4-ethylphenoxy)propanamide (PubChem CID 110834162) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(4-ethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(4-ethylphenoxy)propanamide
PubChem CID110834162
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(3-aminopropyl)-3-(4-ethylphenoxy)propanamide
SMILESCCc1ccc(OCCC(=O)NCCCN)cc1
InChIInChI=1S/C14H22N2O2/c1-2-12-4-6-13(7-5-12)18-11-8-14(17)16-10-3-9-15/h4-7H,2-3,8-11,15H2,1H3,(H,16,17)
InChIKeyBLJWGXXNHVXTJK-UHFFFAOYSA-N
XLogP1.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-3-(4-ethylphenoxy)propanamide
CID 108795844
N-(3-ethoxypropyl)-3-(4-ethylphenoxy)propanamide
CID 108795737
N-[3-(dimethylamino)propyl]-3-(4-ethylphenoxy)propanamide
CID 108795819
4-(4-acetylphenoxy)-N-(3-aminopropyl)butanamide
CID 119405386
N-(2-aminoethyl)-4-(4-ethoxyphenoxy)butanamide
CID 119382448
3-amino-N-[2-(4-butoxyphenyl)ethyl]propanamide;hydrochloride
CID 119284641
N-(3-aminopropyl)-3-(4-ethylphenoxy)-N-methylpropanamide
CID 43254052
4-(4-ethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 19173503
4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide
CID 119274703
4-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]butanamide
CID 119877301
4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119271547
6-amino-N-(3-phenoxypropyl)hexanamide
CID 62074464

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(4-ethylphenoxy)propanamide?
The IUPAC name of N-(3-aminopropyl)-3-(4-ethylphenoxy)propanamide (CID 110834162) is N-(3-aminopropyl)-3-(4-ethylphenoxy)propanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-(4-ethylphenoxy)propanamide?
The canonical SMILES for N-(3-aminopropyl)-3-(4-ethylphenoxy)propanamide is CCc1ccc(OCCC(=O)NCCCN)cc1.
What is the InChIKey of N-(3-aminopropyl)-3-(4-ethylphenoxy)propanamide?
The InChIKey is BLJWGXXNHVXTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-12-4-6-13(7-5-12)18-11-8-14(17)16-10-3-9-15/h4-7H,2-3,8-11,15H2,1H3,(H,16,17).
What are the key properties of N-(3-aminopropyl)-3-(4-ethylphenoxy)propanamide?
N-(3-aminopropyl)-3-(4-ethylphenoxy)propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(4-ethylphenoxy)propanamide is sourced from PubChem (CID 110834162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).