3-amino-N-[3-(4-methylphenoxy)propyl]-3-phenylpropanamide

C19H24N2O2 — CID 119950794

IUPAC3-amino-N-[3-(4-methylphenoxy)propyl]-3-phenylpropanamide
SMILESCc1ccc(OCCCNC(=O)CC(N)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-15-8-10-17(11-9-15)23-13-5-12-21-19(22)14-18(20)16-6-3-2-4-7-16/h2-4,6-11,18H,5,12-14,20H2,1H3,(H,21,22)
InChIKeyWSRNMDFGIWGGRO-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.97
Rot. Bonds8

About 3-amino-N-[3-(4-methylphenoxy)propyl]-3-phenylpropanamide

3-amino-N-[3-(4-methylphenoxy)propyl]-3-phenylpropanamide (PubChem CID 119950794) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-amino-N-[3-(4-methylphenoxy)propyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-methylphenoxy)propyl]-3-phenylpropanamide
PubChem CID119950794
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-amino-N-[3-(4-methylphenoxy)propyl]-3-phenylpropanamide
SMILESCc1ccc(OCCCNC(=O)CC(N)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-15-8-10-17(11-9-15)23-13-5-12-21-19(22)14-18(20)16-6-3-2-4-7-16/h2-4,6-11,18H,5,12-14,20H2,1H3,(H,21,22)
InChIKeyWSRNMDFGIWGGRO-UHFFFAOYSA-N
XLogP2.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.97
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

3-amino-N-[3-(2-methoxyethoxy)propyl]-3-phenylpropanamide
CID 61275597
N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide
CID 119950377
3-amino-N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide;hydrochloride
CID 119950402
3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 24705411
4-[(3-amino-3-phenylpropanoyl)amino]butanamide
CID 60865046
5-[(3-amino-3-phenylpropanoyl)amino]-2-methylpentanoic acid
CID 115867289
3-amino-N-[4-(2-methoxyethoxy)phenyl]-3-phenylpropanamide
CID 119949874
3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide
CID 119951271
3-amino-N-[2-(4-methoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119948729
3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide
CID 119953159
3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide;hydrochloride
CID 119951270
3-amino-N-[3-(methanesulfonamido)propyl]-3-phenylpropanamide
CID 103823697

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-methylphenoxy)propyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[3-(4-methylphenoxy)propyl]-3-phenylpropanamide (CID 119950794) is 3-amino-N-[3-(4-methylphenoxy)propyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[3-(4-methylphenoxy)propyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[3-(4-methylphenoxy)propyl]-3-phenylpropanamide is Cc1ccc(OCCCNC(=O)CC(N)c2ccccc2)cc1.
What is the InChIKey of 3-amino-N-[3-(4-methylphenoxy)propyl]-3-phenylpropanamide?
The InChIKey is WSRNMDFGIWGGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15-8-10-17(11-9-15)23-13-5-12-21-19(22)14-18(20)16-6-3-2-4-7-16/h2-4,6-11,18H,5,12-14,20H2,1H3,(H,21,22).
What are the key properties of 3-amino-N-[3-(4-methylphenoxy)propyl]-3-phenylpropanamide?
3-amino-N-[3-(4-methylphenoxy)propyl]-3-phenylpropanamide has a molecular weight of 312.41 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-methylphenoxy)propyl]-3-phenylpropanamide is sourced from PubChem (CID 119950794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).