[4-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]methylphosphonic acid

C18H23N2O4P — CID 23877767

IUPAC[4-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]methylphosphonic acid
SMILESNCCCN(Cc1ccc(CP(=O)(O)O)cc1)C(=O)c1ccccc1
InChIInChI=1S/C18H23N2O4P/c19-11-4-12-20(18(21)17-5-2-1-3-6-17)13-15-7-9-16(10-8-15)14-25(22,23)24/h1-3,5-10H,4,11-14,19H2,(H2,22,23,24)
InChIKeyZTZSTMDBKWIVFV-UHFFFAOYSA-N
MW362.37 g/mol
LogP2.36
Rot. Bonds8

About [4-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]methylphosphonic acid

[4-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]methylphosphonic acid (PubChem CID 23877767) has the molecular formula C18H23N2O4P and a molecular weight of 362.37 g/mol. Its IUPAC name is [4-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]methylphosphonic acid.

Molecular Properties

Compound Name[4-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]methylphosphonic acid
PubChem CID23877767
Molecular FormulaC18H23N2O4P
Molecular Weight362.37 g/mol
Exact Mass362.14
IUPAC Name[4-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]methylphosphonic acid
SMILESNCCCN(Cc1ccc(CP(=O)(O)O)cc1)C(=O)c1ccccc1
InChIInChI=1S/C18H23N2O4P/c19-11-4-12-20(18(21)17-5-2-1-3-6-17)13-15-7-9-16(10-8-15)14-25(22,23)24/h1-3,5-10H,4,11-14,19H2,(H2,22,23,24)
InChIKeyZTZSTMDBKWIVFV-UHFFFAOYSA-N
XLogP2.36
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-(3-aminopropyl)-N-benzyl-3-bromobenzamide
CID 107365609
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
CID 120649040
N-(3-aminopropyl)-N-benzyl-3-iodobenzamide
CID 107365856
3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide
CID 120648912
N,N-bis(6-aminohexyl)benzamide
CID 68737596
N-(3-aminopropyl)-N-benzyl-6-oxo-1H-pyridine-3-carboxamide
CID 107365742
N-[4-[3-aminopropyl(benzoyl)amino]butyl]benzamide
CID 162862869
N-(3-aminopropyl)-N-benzyl-5-bromofuran-2-carboxamide
CID 107365854
N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
CID 120649276
N-(3-aminopropyl)-N-benzyl-3-(difluoromethoxy)benzamide;hydrochloride
CID 120649019
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1H-indene-5-carboxamide
CID 120648770

Frequently Asked Questions

What is the IUPAC name of [4-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]methylphosphonic acid?
The IUPAC name of [4-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]methylphosphonic acid (CID 23877767) is [4-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]methylphosphonic acid.
What is the SMILES notation for [4-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]methylphosphonic acid?
The canonical SMILES for [4-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]methylphosphonic acid is NCCCN(Cc1ccc(CP(=O)(O)O)cc1)C(=O)c1ccccc1.
What is the InChIKey of [4-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]methylphosphonic acid?
The InChIKey is ZTZSTMDBKWIVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N2O4P/c19-11-4-12-20(18(21)17-5-2-1-3-6-17)13-15-7-9-16(10-8-15)14-25(22,23)24/h1-3,5-10H,4,11-14,19H2,(H2,22,23,24).
What are the key properties of [4-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]methylphosphonic acid?
[4-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]methylphosphonic acid has a molecular weight of 362.37 g/mol, XLogP of 2.36, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]methylphosphonic acid is sourced from PubChem (CID 23877767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).