N-benzylformamide;N-[3-(methoxymethyl)naphthalen-2-yl]-2-naphthalen-1-yl-2-phosphorosoacetamide

C32H29N2O4P — CID 143085381

IUPACN-benzylformamide;N-[3-(methoxymethyl)naphthalen-2-yl]-2-naphthalen-1-yl-2-phosphorosoacetamide
SMILESCOCc1cc2ccccc2cc1NC(=O)C(P=O)c1cccc2ccccc12.O=CNCc1ccccc1
InChIInChI=1S/C24H20NO3P.C8H9NO/c1-28-15-19-13-17-8-2-3-9-18(17)14-22(19)25-24(26)23(29-27)21-12-6-10-16-7-4-5-11-20(16)21;10-7-9-6-8-4-2-1-3-5-8/h2-14,23H,15H2,1H3,(H,25,26);1-5,7H,6H2,(H,9,10)
InChIKeyIMOANJAISNZLJE-UHFFFAOYSA-N
MW536.57 g/mol
LogP7.04
Rot. Bonds9

About N-benzylformamide;N-[3-(methoxymethyl)naphthalen-2-yl]-2-naphthalen-1-yl-2-phosphorosoacetamide

N-benzylformamide;N-[3-(methoxymethyl)naphthalen-2-yl]-2-naphthalen-1-yl-2-phosphorosoacetamide (PubChem CID 143085381) has the molecular formula C32H29N2O4P and a molecular weight of 536.57 g/mol. Its IUPAC name is N-benzylformamide;N-[3-(methoxymethyl)naphthalen-2-yl]-2-naphthalen-1-yl-2-phosphorosoacetamide.

Molecular Properties

Compound NameN-benzylformamide;N-[3-(methoxymethyl)naphthalen-2-yl]-2-naphthalen-1-yl-2-phosphorosoacetamide
PubChem CID143085381
Molecular FormulaC32H29N2O4P
Molecular Weight536.57 g/mol
Exact Mass536.19
IUPAC NameN-benzylformamide;N-[3-(methoxymethyl)naphthalen-2-yl]-2-naphthalen-1-yl-2-phosphorosoacetamide
SMILESCOCc1cc2ccccc2cc1NC(=O)C(P=O)c1cccc2ccccc12.O=CNCc1ccccc1
InChIInChI=1S/C24H20NO3P.C8H9NO/c1-28-15-19-13-17-8-2-3-9-18(17)14-22(19)25-24(26)23(29-27)21-12-6-10-16-7-4-5-11-20(16)21;10-7-9-6-8-4-2-1-3-5-8/h2-14,23H,15H2,1H3,(H,25,26);1-5,7H,6H2,(H,9,10)
InChIKeyIMOANJAISNZLJE-UHFFFAOYSA-N
XLogP7.04
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.57
LogP ≤ 57.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-benzyl-3-[3-[(2-naphthalen-1-yl-2-phosphorosoacetyl)amino]naphthalen-2-yl]prop-2-enamide
CID 143085426
2-diethoxyphosphoryl-N-[3-(hydroxymethyl)naphthalen-2-yl]-2-naphthalen-1-ylacetamide
CID 59851001
N-[2-butyl-5-(phenylmethoxymethyl)phenyl]-2-naphthalen-1-ylpropanamide
CID 142214275
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate
CID 7488833
[2-[[3-(benzylcarbamoyl)naphthalen-2-yl]amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
CID 66678345
methyl 2-naphthalen-1-yl-2-phenylmethoxyacetate
CID 20726922
N-benzylformamide
CID 139060556
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 18197163
N-benzyl-2-(methoxymethyl)aniline
CID 43677932
[2-[(3-methoxycarbonylnaphthalen-2-yl)amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
CID 66677543
3-methoxy-2-naphthalen-1-ylpropanoic acid
CID 84752957
naphthalen-1-ylmethyl 2-(2-methylpropanoylamino)benzoate
CID 926085

Frequently Asked Questions

What is the IUPAC name of N-benzylformamide;N-[3-(methoxymethyl)naphthalen-2-yl]-2-naphthalen-1-yl-2-phosphorosoacetamide?
The IUPAC name of N-benzylformamide;N-[3-(methoxymethyl)naphthalen-2-yl]-2-naphthalen-1-yl-2-phosphorosoacetamide (CID 143085381) is N-benzylformamide;N-[3-(methoxymethyl)naphthalen-2-yl]-2-naphthalen-1-yl-2-phosphorosoacetamide.
What is the SMILES notation for N-benzylformamide;N-[3-(methoxymethyl)naphthalen-2-yl]-2-naphthalen-1-yl-2-phosphorosoacetamide?
The canonical SMILES for N-benzylformamide;N-[3-(methoxymethyl)naphthalen-2-yl]-2-naphthalen-1-yl-2-phosphorosoacetamide is COCc1cc2ccccc2cc1NC(=O)C(P=O)c1cccc2ccccc12.O=CNCc1ccccc1.
What is the InChIKey of N-benzylformamide;N-[3-(methoxymethyl)naphthalen-2-yl]-2-naphthalen-1-yl-2-phosphorosoacetamide?
The InChIKey is IMOANJAISNZLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20NO3P.C8H9NO/c1-28-15-19-13-17-8-2-3-9-18(17)14-22(19)25-24(26)23(29-27)21-12-6-10-16-7-4-5-11-20(16)21;10-7-9-6-8-4-2-1-3-5-8/h2-14,23H,15H2,1H3,(H,25,26);1-5,7H,6H2,(H,9,10).
What are the key properties of N-benzylformamide;N-[3-(methoxymethyl)naphthalen-2-yl]-2-naphthalen-1-yl-2-phosphorosoacetamide?
N-benzylformamide;N-[3-(methoxymethyl)naphthalen-2-yl]-2-naphthalen-1-yl-2-phosphorosoacetamide has a molecular weight of 536.57 g/mol, XLogP of 7.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylformamide;N-[3-(methoxymethyl)naphthalen-2-yl]-2-naphthalen-1-yl-2-phosphorosoacetamide is sourced from PubChem (CID 143085381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).