2-amino-3-methoxy-4-(4-phenylphenyl)butanamide

C17H20N2O2 — CID 91560363

IUPAC2-amino-3-methoxy-4-(4-phenylphenyl)butanamide
SMILESCOC(Cc1ccc(-c2ccccc2)cc1)C(N)C(N)=O
InChIInChI=1S/C17H20N2O2/c1-21-15(16(18)17(19)20)11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10,15-16H,11,18H2,1H3,(H2,19,20)
InChIKeyBHFNPUJJZFNCNC-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.72
Rot. Bonds6

About 2-amino-3-methoxy-4-(4-phenylphenyl)butanamide

2-amino-3-methoxy-4-(4-phenylphenyl)butanamide (PubChem CID 91560363) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-amino-3-methoxy-4-(4-phenylphenyl)butanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-4-(4-phenylphenyl)butanamide
PubChem CID91560363
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-amino-3-methoxy-4-(4-phenylphenyl)butanamide
SMILESCOC(Cc1ccc(-c2ccccc2)cc1)C(N)C(N)=O
InChIInChI=1S/C17H20N2O2/c1-21-15(16(18)17(19)20)11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10,15-16H,11,18H2,1H3,(H2,19,20)
InChIKeyBHFNPUJJZFNCNC-UHFFFAOYSA-N
XLogP1.72
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
CID 159098025
3-amino-4-(4-phenylphenyl)butan-2-one;ethane
CID 176709550
methyl (3S)-3-hydroxy-4-(4-phenylphenyl)butanoate
CID 57115964
ethyl (2R,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate
CID 11722991
methyl N-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]carbamate
CID 118163587
4-O-tert-butyl 1-O-methyl 2-amino-3-[(4-phenylphenyl)methyl]butanedioate
CID 70084320
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
(2R)-2-[(4-phenylphenyl)methyl]butanediamide
CID 154379119
(2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;hypochlorous acid
CID 122454136
ethyl (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride
CID 127255946
1-(4-phenylphenyl)butan-2-amine
CID 23591877
ethyl (2S,4S)-4-amino-2-(methoxymethyl)-5-(4-phenylphenyl)pentanoate
CID 118252261

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-4-(4-phenylphenyl)butanamide?
The IUPAC name of 2-amino-3-methoxy-4-(4-phenylphenyl)butanamide (CID 91560363) is 2-amino-3-methoxy-4-(4-phenylphenyl)butanamide.
What is the SMILES notation for 2-amino-3-methoxy-4-(4-phenylphenyl)butanamide?
The canonical SMILES for 2-amino-3-methoxy-4-(4-phenylphenyl)butanamide is COC(Cc1ccc(-c2ccccc2)cc1)C(N)C(N)=O.
What is the InChIKey of 2-amino-3-methoxy-4-(4-phenylphenyl)butanamide?
The InChIKey is BHFNPUJJZFNCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-21-15(16(18)17(19)20)11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10,15-16H,11,18H2,1H3,(H2,19,20).
What are the key properties of 2-amino-3-methoxy-4-(4-phenylphenyl)butanamide?
2-amino-3-methoxy-4-(4-phenylphenyl)butanamide has a molecular weight of 284.36 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-4-(4-phenylphenyl)butanamide is sourced from PubChem (CID 91560363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).