2-amino-N-[4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]phenyl]propanamide

C31H32N2O4 — CID 159349083

IUPAC2-amino-N-[4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]phenyl]propanamide
SMILESCOc1ccc(C(OCc2ccc(NC(=O)C(C)N)cc2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H32N2O4/c1-22(32)30(34)33-27-15-9-23(10-16-27)21-37-31(24-7-5-4-6-8-24,25-11-17-28(35-2)18-12-25)26-13-19-29(36-3)20-14-26/h4-20,22H,21,32H2,1-3H3,(H,33,34)
InChIKeyNPJSXQLTBIOCBY-UHFFFAOYSA-N
MW496.61 g/mol
LogP5.50
Rot. Bonds10

About 2-amino-N-[4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]phenyl]propanamide

2-amino-N-[4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]phenyl]propanamide (PubChem CID 159349083) has the molecular formula C31H32N2O4 and a molecular weight of 496.61 g/mol. Its IUPAC name is 2-amino-N-[4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]phenyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]phenyl]propanamide
PubChem CID159349083
Molecular FormulaC31H32N2O4
Molecular Weight496.61 g/mol
Exact Mass496.24
IUPAC Name2-amino-N-[4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]phenyl]propanamide
SMILESCOc1ccc(C(OCc2ccc(NC(=O)C(C)N)cc2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H32N2O4/c1-22(32)30(34)33-27-15-9-23(10-16-27)21-37-31(24-7-5-4-6-8-24,25-11-17-28(35-2)18-12-25)26-13-19-29(36-3)20-14-26/h4-20,22H,21,32H2,1-3H3,(H,33,34)
InChIKeyNPJSXQLTBIOCBY-UHFFFAOYSA-N
XLogP5.50
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide
CID 22690589
(2R)-2-amino-N-phenylpropanamide
CID 10607114
3-amino-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 135215394
[4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl formate
CID 155030194
[4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl N-methylcarbamate
CID 166675608
benzyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4-methoxyphenyl)propanoate
CID 130394596
3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide
CID 91429970
2-amino-N-[4-(2-methoxyphenoxy)phenyl]propanamide;hydrochloride
CID 154915022
2-chloro-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]phenol
CID 56614501
(E,4S)-4-[[(2S)-2-aminopropanoyl]amino]-N-(4-methoxyphenyl)-6-phenylhex-2-enamide
CID 50939161
(2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide
CID 103691721
benzyl N-[5-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypentyl]carbamate
CID 68749958

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]phenyl]propanamide?
The IUPAC name of 2-amino-N-[4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]phenyl]propanamide (CID 159349083) is 2-amino-N-[4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]phenyl]propanamide.
What is the SMILES notation for 2-amino-N-[4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]phenyl]propanamide?
The canonical SMILES for 2-amino-N-[4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]phenyl]propanamide is COc1ccc(C(OCc2ccc(NC(=O)C(C)N)cc2)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-amino-N-[4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]phenyl]propanamide?
The InChIKey is NPJSXQLTBIOCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O4/c1-22(32)30(34)33-27-15-9-23(10-16-27)21-37-31(24-7-5-4-6-8-24,25-11-17-28(35-2)18-12-25)26-13-19-29(36-3)20-14-26/h4-20,22H,21,32H2,1-3H3,(H,33,34).
What are the key properties of 2-amino-N-[4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]phenyl]propanamide?
2-amino-N-[4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]phenyl]propanamide has a molecular weight of 496.61 g/mol, XLogP of 5.50, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]phenyl]propanamide is sourced from PubChem (CID 159349083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).