sodium 3-[(4-acetamidophenyl)methylamino]-3-(4-methoxyphenyl)propanoate

C19H21N2NaO4 — CID 167860511

IUPACsodium 3-[(4-acetamidophenyl)methylamino]-3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(C(CC(=O)[O-])NCc2ccc(NC(C)=O)cc2)cc1.[Na+]
InChIInChI=1S/C19H22N2O4.Na/c1-13(22)21-16-7-3-14(4-8-16)12-20-18(11-19(23)24)15-5-9-17(25-2)10-6-15;/h3-10,18,20H,11-12H2,1-2H3,(H,21,22)(H,23,24);/q;+1/p-1
InChIKeyFLTZAVUFHSUAOU-UHFFFAOYSA-M
MW364.38 g/mol
LogP-1.37
Rot. Bonds8

About sodium 3-[(4-acetamidophenyl)methylamino]-3-(4-methoxyphenyl)propanoate

sodium 3-[(4-acetamidophenyl)methylamino]-3-(4-methoxyphenyl)propanoate (PubChem CID 167860511) has the molecular formula C19H21N2NaO4 and a molecular weight of 364.38 g/mol. Its IUPAC name is sodium 3-[(4-acetamidophenyl)methylamino]-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Namesodium 3-[(4-acetamidophenyl)methylamino]-3-(4-methoxyphenyl)propanoate
PubChem CID167860511
Molecular FormulaC19H21N2NaO4
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC Namesodium 3-[(4-acetamidophenyl)methylamino]-3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(C(CC(=O)[O-])NCc2ccc(NC(C)=O)cc2)cc1.[Na+]
InChIInChI=1S/C19H22N2O4.Na/c1-13(22)21-16-7-3-14(4-8-16)12-20-18(11-19(23)24)15-5-9-17(25-2)10-6-15;/h3-10,18,20H,11-12H2,1-2H3,(H,21,22)(H,23,24);/q;+1/p-1
InChIKeyFLTZAVUFHSUAOU-UHFFFAOYSA-M
XLogP-1.37
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]propanamide
CID 9322127
4-(4-methoxyanilino)-3-[(4-methoxyphenyl)methyl]-4-oxobutanoate
CID 4248992
2-(4-acetamidophenyl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 108792620
3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 3455324
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]acetamide
CID 54838346
N-[4-[(1-phenylpropylamino)methyl]phenyl]acetamide
CID 62049518
3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 46689011
N-[4-[(3,5-dimethoxyanilino)methyl]phenyl]acetamide
CID 43824322
1-[(4-methoxyphenyl)methyl]-3-(4-propan-2-ylphenyl)thiourea
CID 972265
1-[4-[(1S)-1-aminoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156824997
N-[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)propanediamide
CID 108947063
ethane;2-[(4-methoxyphenyl)methylamino]propanoic acid
CID 91562631

Frequently Asked Questions

What is the IUPAC name of sodium 3-[(4-acetamidophenyl)methylamino]-3-(4-methoxyphenyl)propanoate?
The IUPAC name of sodium 3-[(4-acetamidophenyl)methylamino]-3-(4-methoxyphenyl)propanoate (CID 167860511) is sodium 3-[(4-acetamidophenyl)methylamino]-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for sodium 3-[(4-acetamidophenyl)methylamino]-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for sodium 3-[(4-acetamidophenyl)methylamino]-3-(4-methoxyphenyl)propanoate is COc1ccc(C(CC(=O)[O-])NCc2ccc(NC(C)=O)cc2)cc1.[Na+].
What is the InChIKey of sodium 3-[(4-acetamidophenyl)methylamino]-3-(4-methoxyphenyl)propanoate?
The InChIKey is FLTZAVUFHSUAOU-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H22N2O4.Na/c1-13(22)21-16-7-3-14(4-8-16)12-20-18(11-19(23)24)15-5-9-17(25-2)10-6-15;/h3-10,18,20H,11-12H2,1-2H3,(H,21,22)(H,23,24);/q;+1/p-1.
What are the key properties of sodium 3-[(4-acetamidophenyl)methylamino]-3-(4-methoxyphenyl)propanoate?
sodium 3-[(4-acetamidophenyl)methylamino]-3-(4-methoxyphenyl)propanoate has a molecular weight of 364.38 g/mol, XLogP of -1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-[(4-acetamidophenyl)methylamino]-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 167860511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).