4-amino-3-methoxy-N-(2-phenoxy-1-phenylethyl)butanamide

C19H24N2O3 — CID 120592001

IUPAC4-amino-3-methoxy-N-(2-phenoxy-1-phenylethyl)butanamide
SMILESCOC(CN)CC(=O)NC(COc1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O3/c1-23-17(13-20)12-19(22)21-18(15-8-4-2-5-9-15)14-24-16-10-6-3-7-11-16/h2-11,17-18H,12-14,20H2,1H3,(H,21,22)
InChIKeyLSJCJRQGOUCJBU-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.29
Rot. Bonds9

About 4-amino-3-methoxy-N-(2-phenoxy-1-phenylethyl)butanamide

4-amino-3-methoxy-N-(2-phenoxy-1-phenylethyl)butanamide (PubChem CID 120592001) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(2-phenoxy-1-phenylethyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(2-phenoxy-1-phenylethyl)butanamide
PubChem CID120592001
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name4-amino-3-methoxy-N-(2-phenoxy-1-phenylethyl)butanamide
SMILESCOC(CN)CC(=O)NC(COc1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O3/c1-23-17(13-20)12-19(22)21-18(15-8-4-2-5-9-15)14-24-16-10-6-3-7-11-16/h2-11,17-18H,12-14,20H2,1H3,(H,21,22)
InChIKeyLSJCJRQGOUCJBU-UHFFFAOYSA-N
XLogP2.29
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-(3-methyl-1-phenylbutyl)butanamide
CID 103154671
methyl 4-[(4-amino-3-methoxybutanoyl)amino]-4-phenylbutanoate
CID 120591892
4-amino-3-methoxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)butanamide
CID 120595471
4-amino-N-(2-cyclohexyl-1-phenylethyl)-3-methoxybutanamide
CID 120591337
4-amino-N-[(4-fluorophenyl)-phenylmethyl]-3-methoxybutanamide;hydrochloride
CID 120588465
(2S)-2-(carbamoylamino)-N-[(1S)-2-phenoxy-1-phenylethyl]propanamide
CID 95616236
N-(2-phenoxy-1-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119779875
2-(cyclopropylmethylamino)-N-(2-phenoxy-1-phenylethyl)acetamide;hydrochloride
CID 119779869
4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120591726
4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride
CID 120586575
4-amino-3-methoxy-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]butanamide
CID 120591392
4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]butyl]butanamide
CID 120591390

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(2-phenoxy-1-phenylethyl)butanamide?
The IUPAC name of 4-amino-3-methoxy-N-(2-phenoxy-1-phenylethyl)butanamide (CID 120592001) is 4-amino-3-methoxy-N-(2-phenoxy-1-phenylethyl)butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(2-phenoxy-1-phenylethyl)butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-(2-phenoxy-1-phenylethyl)butanamide is COC(CN)CC(=O)NC(COc1ccccc1)c1ccccc1.
What is the InChIKey of 4-amino-3-methoxy-N-(2-phenoxy-1-phenylethyl)butanamide?
The InChIKey is LSJCJRQGOUCJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-23-17(13-20)12-19(22)21-18(15-8-4-2-5-9-15)14-24-16-10-6-3-7-11-16/h2-11,17-18H,12-14,20H2,1H3,(H,21,22).
What are the key properties of 4-amino-3-methoxy-N-(2-phenoxy-1-phenylethyl)butanamide?
4-amino-3-methoxy-N-(2-phenoxy-1-phenylethyl)butanamide has a molecular weight of 328.41 g/mol, XLogP of 2.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(2-phenoxy-1-phenylethyl)butanamide is sourced from PubChem (CID 120592001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).