4-amino-N-[4-amino-3-[(4-methoxyphenyl)methyl]phenyl]-2-phenylbutanamide

C24H27N3O2 — CID 142270741

IUPAC4-amino-N-[4-amino-3-[(4-methoxyphenyl)methyl]phenyl]-2-phenylbutanamide
SMILESCOc1ccc(Cc2cc(NC(=O)C(CCN)c3ccccc3)ccc2N)cc1
InChIInChI=1S/C24H27N3O2/c1-29-21-10-7-17(8-11-21)15-19-16-20(9-12-23(19)26)27-24(28)22(13-14-25)18-5-3-2-4-6-18/h2-12,16,22H,13-15,25-26H2,1H3,(H,27,28)
InChIKeyKIRADWUXQMFQGK-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.94
Rot. Bonds8

About 4-amino-N-[4-amino-3-[(4-methoxyphenyl)methyl]phenyl]-2-phenylbutanamide

4-amino-N-[4-amino-3-[(4-methoxyphenyl)methyl]phenyl]-2-phenylbutanamide (PubChem CID 142270741) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-amino-N-[4-amino-3-[(4-methoxyphenyl)methyl]phenyl]-2-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-[4-amino-3-[(4-methoxyphenyl)methyl]phenyl]-2-phenylbutanamide
PubChem CID142270741
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name4-amino-N-[4-amino-3-[(4-methoxyphenyl)methyl]phenyl]-2-phenylbutanamide
SMILESCOc1ccc(Cc2cc(NC(=O)C(CCN)c3ccccc3)ccc2N)cc1
InChIInChI=1S/C24H27N3O2/c1-29-21-10-7-17(8-11-21)15-19-16-20(9-12-23(19)26)27-24(28)22(13-14-25)18-5-3-2-4-6-18/h2-12,16,22H,13-15,25-26H2,1H3,(H,27,28)
InChIKeyKIRADWUXQMFQGK-UHFFFAOYSA-N
XLogP3.94
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxyphenyl)-2-phenylpentanamide;hydrochloride
CID 119419153
N-(3-benzyl-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 27038651
3-[[amino-[2-amino-5-[[4-amino-2-(3-methoxyphenyl)butanoyl]amino]phenyl]methylidene]amino]benzamide
CID 142270647
3-[3-[(2-amino-3,4-dioxocyclobuten-1-yl)amino]phenyl]-N-(4-methoxyphenyl)-2-phenylpropanamide
CID 175237547
N-(3,5-dimethoxyphenyl)-2-phenylbutanamide
CID 2924276
methyl 4-amino-2-phenylbutanoate;hydrochloride
CID 66905089
2-[2-[(4-methoxyphenyl)methyl]phenyl]acetic acid
CID 12743493
4-amino-2-(3-methoxyphenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide
CID 23570880
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate
CID 118256663
2-amino-N-(3-benzyl-4-methoxyphenyl)-4-methylsulfonylbutanamide
CID 119956209
4-amino-N-[4-amino-3-(N'-benzylcarbamimidoyl)phenyl]-2-(3,4-dichlorophenyl)butanamide
CID 142270772
(Z)-[amino-[2-amino-5-[(4-amino-2-phenylbutanoyl)amino]phenyl]methylidene]-[(E)-1-hydroxy-2-methanimidoylbut-2-enyl]azanium
CID 142270706

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-amino-3-[(4-methoxyphenyl)methyl]phenyl]-2-phenylbutanamide?
The IUPAC name of 4-amino-N-[4-amino-3-[(4-methoxyphenyl)methyl]phenyl]-2-phenylbutanamide (CID 142270741) is 4-amino-N-[4-amino-3-[(4-methoxyphenyl)methyl]phenyl]-2-phenylbutanamide.
What is the SMILES notation for 4-amino-N-[4-amino-3-[(4-methoxyphenyl)methyl]phenyl]-2-phenylbutanamide?
The canonical SMILES for 4-amino-N-[4-amino-3-[(4-methoxyphenyl)methyl]phenyl]-2-phenylbutanamide is COc1ccc(Cc2cc(NC(=O)C(CCN)c3ccccc3)ccc2N)cc1.
What is the InChIKey of 4-amino-N-[4-amino-3-[(4-methoxyphenyl)methyl]phenyl]-2-phenylbutanamide?
The InChIKey is KIRADWUXQMFQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-29-21-10-7-17(8-11-21)15-19-16-20(9-12-23(19)26)27-24(28)22(13-14-25)18-5-3-2-4-6-18/h2-12,16,22H,13-15,25-26H2,1H3,(H,27,28).
What are the key properties of 4-amino-N-[4-amino-3-[(4-methoxyphenyl)methyl]phenyl]-2-phenylbutanamide?
4-amino-N-[4-amino-3-[(4-methoxyphenyl)methyl]phenyl]-2-phenylbutanamide has a molecular weight of 389.50 g/mol, XLogP of 3.94, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-amino-3-[(4-methoxyphenyl)methyl]phenyl]-2-phenylbutanamide is sourced from PubChem (CID 142270741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).