2-amino-N-[4-(diethoxyphosphorylmethyl)phenyl]acetamide;hydrochloride

C13H22ClN2O4P — CID 87467855

IUPAC2-amino-N-[4-(diethoxyphosphorylmethyl)phenyl]acetamide;hydrochloride
SMILESCCOP(=O)(Cc1ccc(NC(=O)CN)cc1)OCC.Cl
InChIInChI=1S/C13H21N2O4P.ClH/c1-3-18-20(17,19-4-2)10-11-5-7-12(8-6-11)15-13(16)9-14;/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,16);1H
InChIKeyVMVFRPFCINWJJJ-UHFFFAOYSA-N
MW336.76 g/mol
LogP2.77
Rot. Bonds8

About 2-amino-N-[4-(diethoxyphosphorylmethyl)phenyl]acetamide;hydrochloride

2-amino-N-[4-(diethoxyphosphorylmethyl)phenyl]acetamide;hydrochloride (PubChem CID 87467855) has the molecular formula C13H22ClN2O4P and a molecular weight of 336.76 g/mol. Its IUPAC name is 2-amino-N-[4-(diethoxyphosphorylmethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-(diethoxyphosphorylmethyl)phenyl]acetamide;hydrochloride
PubChem CID87467855
Molecular FormulaC13H22ClN2O4P
Molecular Weight336.76 g/mol
Exact Mass336.10
IUPAC Name2-amino-N-[4-(diethoxyphosphorylmethyl)phenyl]acetamide;hydrochloride
SMILESCCOP(=O)(Cc1ccc(NC(=O)CN)cc1)OCC.Cl
InChIInChI=1S/C13H21N2O4P.ClH/c1-3-18-20(17,19-4-2)10-11-5-7-12(8-6-11)15-13(16)9-14;/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,16);1H
InChIKeyVMVFRPFCINWJJJ-UHFFFAOYSA-N
XLogP2.77
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.76
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[4-(ethoxymethyl)phenyl]acetamide
CID 119340719
1-[4-(diethoxyphosphorylmethyl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 3503064
2-amino-N-(4-propylphenyl)acetamide
CID 43216495
3-bromo-N-[4-(diethoxyphosphorylmethyl)phenyl]thiophene-2-carboxamide
CID 3806368
N-[4-(diethoxyphosphorylmethyl)phenyl]naphthalene-2-carboxamide
CID 19700500
N-[4-[(2-aminoacetyl)amino]phenyl]propanamide
CID 43708679
2-amino-N-[4-(hydroxymethyl)phenyl]acetamide;ethane
CID 144997622
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(diethoxyphosphorylmethyl)phenyl]acetamide
CID 5299506
N-(4-bromophenyl)-2-diethoxyphosphorylacetamide
CID 56955833
N-[4-(diethoxyphosphorylmethyl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 3868557
2-diethoxyphosphoryl-N-phenylacetamide
CID 12520780
[4-(propanoylamino)phenyl]methylphosphonic acid
CID 143490862

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(diethoxyphosphorylmethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-(diethoxyphosphorylmethyl)phenyl]acetamide;hydrochloride (CID 87467855) is 2-amino-N-[4-(diethoxyphosphorylmethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-(diethoxyphosphorylmethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-(diethoxyphosphorylmethyl)phenyl]acetamide;hydrochloride is CCOP(=O)(Cc1ccc(NC(=O)CN)cc1)OCC.Cl.
What is the InChIKey of 2-amino-N-[4-(diethoxyphosphorylmethyl)phenyl]acetamide;hydrochloride?
The InChIKey is VMVFRPFCINWJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N2O4P.ClH/c1-3-18-20(17,19-4-2)10-11-5-7-12(8-6-11)15-13(16)9-14;/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 2-amino-N-[4-(diethoxyphosphorylmethyl)phenyl]acetamide;hydrochloride?
2-amino-N-[4-(diethoxyphosphorylmethyl)phenyl]acetamide;hydrochloride has a molecular weight of 336.76 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(diethoxyphosphorylmethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 87467855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).