3-amino-N-[4-(2-methoxyethoxy)phenyl]-3-phenylpropanamide

C18H22N2O3 — CID 119949874

IUPAC3-amino-N-[4-(2-methoxyethoxy)phenyl]-3-phenylpropanamide
SMILESCOCCOc1ccc(NC(=O)CC(N)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O3/c1-22-11-12-23-16-9-7-15(8-10-16)20-18(21)13-17(19)14-5-3-2-4-6-14/h2-10,17H,11-13,19H2,1H3,(H,20,21)
InChIKeyLHRBMVLPCHHEJC-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.74
Rot. Bonds8

About 3-amino-N-[4-(2-methoxyethoxy)phenyl]-3-phenylpropanamide

3-amino-N-[4-(2-methoxyethoxy)phenyl]-3-phenylpropanamide (PubChem CID 119949874) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-amino-N-[4-(2-methoxyethoxy)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[4-(2-methoxyethoxy)phenyl]-3-phenylpropanamide
PubChem CID119949874
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name3-amino-N-[4-(2-methoxyethoxy)phenyl]-3-phenylpropanamide
SMILESCOCCOc1ccc(NC(=O)CC(N)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O3/c1-22-11-12-23-16-9-7-15(8-10-16)20-18(21)13-17(19)14-5-3-2-4-6-14/h2-10,17H,11-13,19H2,1H3,(H,20,21)
InChIKeyLHRBMVLPCHHEJC-UHFFFAOYSA-N
XLogP2.74
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[4-[(3-amino-3-phenylpropanoyl)amino]phenoxy]butanoate;hydrochloride
CID 119951488
3-amino-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpropanamide
CID 119949876
3-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-phenylpropanamide
CID 119951561
(3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide
CID 101486990
3-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride
CID 119950653
3-amino-N-(4-anilinophenyl)-3-phenylpropanamide
CID 57278352
N-(4-ethoxyphenyl)-3,3-diphenylpropanamide
CID 836173
3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]-3-phenylpropanamide
CID 119949559
4-[(3-amino-3-phenylpropanoyl)amino]-N-propylbenzamide
CID 119950298
3-amino-N-[3-(4-methylphenoxy)propyl]-3-phenylpropanamide
CID 119950794
methyl 3-[4-(2-methoxyethoxy)anilino]-3-oxopropanoate
CID 28638031
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-phenylpropanamide
CID 119949748

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(2-methoxyethoxy)phenyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[4-(2-methoxyethoxy)phenyl]-3-phenylpropanamide (CID 119949874) is 3-amino-N-[4-(2-methoxyethoxy)phenyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[4-(2-methoxyethoxy)phenyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[4-(2-methoxyethoxy)phenyl]-3-phenylpropanamide is COCCOc1ccc(NC(=O)CC(N)c2ccccc2)cc1.
What is the InChIKey of 3-amino-N-[4-(2-methoxyethoxy)phenyl]-3-phenylpropanamide?
The InChIKey is LHRBMVLPCHHEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-22-11-12-23-16-9-7-15(8-10-16)20-18(21)13-17(19)14-5-3-2-4-6-14/h2-10,17H,11-13,19H2,1H3,(H,20,21).
What are the key properties of 3-amino-N-[4-(2-methoxyethoxy)phenyl]-3-phenylpropanamide?
3-amino-N-[4-(2-methoxyethoxy)phenyl]-3-phenylpropanamide has a molecular weight of 314.39 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(2-methoxyethoxy)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 119949874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).