propan-2-yl 2-[[(7-carbamoylnaphthalen-2-yl)methyl-phenoxyphosphoryl]amino]propanoate

C24H27N2O5P — CID 168980703

IUPACpropan-2-yl 2-[[(7-carbamoylnaphthalen-2-yl)methyl-phenoxyphosphoryl]amino]propanoate
SMILESCC(C)OC(=O)C(C)NP(=O)(Cc1ccc2ccc(C(N)=O)cc2c1)Oc1ccccc1
InChIInChI=1S/C24H27N2O5P/c1-16(2)30-24(28)17(3)26-32(29,31-22-7-5-4-6-8-22)15-18-9-10-19-11-12-20(23(25)27)14-21(19)13-18/h4-14,16-17H,15H2,1-3H3,(H2,25,27)(H,26,29)
InChIKeyOUCXJZXWSIPOOO-UHFFFAOYSA-N
MW454.46 g/mol
LogP4.64
Rot. Bonds9

About propan-2-yl 2-[[(7-carbamoylnaphthalen-2-yl)methyl-phenoxyphosphoryl]amino]propanoate

propan-2-yl 2-[[(7-carbamoylnaphthalen-2-yl)methyl-phenoxyphosphoryl]amino]propanoate (PubChem CID 168980703) has the molecular formula C24H27N2O5P and a molecular weight of 454.46 g/mol. Its IUPAC name is propan-2-yl 2-[[(7-carbamoylnaphthalen-2-yl)methyl-phenoxyphosphoryl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[[(7-carbamoylnaphthalen-2-yl)methyl-phenoxyphosphoryl]amino]propanoate
PubChem CID168980703
Molecular FormulaC24H27N2O5P
Molecular Weight454.46 g/mol
Exact Mass454.17
IUPAC Namepropan-2-yl 2-[[(7-carbamoylnaphthalen-2-yl)methyl-phenoxyphosphoryl]amino]propanoate
SMILESCC(C)OC(=O)C(C)NP(=O)(Cc1ccc2ccc(C(N)=O)cc2c1)Oc1ccccc1
InChIInChI=1S/C24H27N2O5P/c1-16(2)30-24(28)17(3)26-32(29,31-22-7-5-4-6-8-22)15-18-9-10-19-11-12-20(23(25)27)14-21(19)13-18/h4-14,16-17H,15H2,1-3H3,(H2,25,27)(H,26,29)
InChIKeyOUCXJZXWSIPOOO-UHFFFAOYSA-N
XLogP4.64
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.46
LogP ≤ 54.64
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

prop-2-enyl 7-[[[[(2S)-1-(2-ethylbutoxy)-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]methyl]naphthalene-2-carboxylate
CID 170039224
propan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate
CID 123570379
propan-2-yl 2-[[phenoxy(propan-2-yloxymethyl)phosphoryl]amino]propanoate
CID 90440549
propan-2-yl 2-[[3-methylbutan-2-yloxymethyl(phenoxy)phosphoryl]amino]propanoate
CID 118967597
propan-2-yl (2S)-2-(diphenoxyphosphorylamino)propanoate
CID 90392548
prop-2-enyl 5-[[[[(2S)-1-[(2R)-butan-2-yl]oxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]methyl]-1-benzothiophene-2-carboxylate
CID 170038415
propan-2-yl (2S)-2-[[methoxy(phenoxy)phosphoryl]amino]propanoate
CID 90055745
propan-2-yl (2S)-2-[[methyl(phenoxy)phosphoryl]amino]propanoate
CID 58463507
propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
CID 72578666
methyl (2S)-2-[[2,2-dimethylpropyl(phenoxy)phosphoryl]amino]propanoate
CID 176807905
propan-2-yl 2-[(cyclopropylidene-ethyl-phenoxy-λ5-phosphanyl)amino]propanoate
CID 142963706
prop-2-enyl 7-[[[[(2S)-1-butoxy-1-oxopropan-2-yl]amino]-naphthalen-1-yloxyphosphoryl]methyl]naphthalene-2-carboxylate
CID 170039228

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[(7-carbamoylnaphthalen-2-yl)methyl-phenoxyphosphoryl]amino]propanoate?
The IUPAC name of propan-2-yl 2-[[(7-carbamoylnaphthalen-2-yl)methyl-phenoxyphosphoryl]amino]propanoate (CID 168980703) is propan-2-yl 2-[[(7-carbamoylnaphthalen-2-yl)methyl-phenoxyphosphoryl]amino]propanoate.
What is the SMILES notation for propan-2-yl 2-[[(7-carbamoylnaphthalen-2-yl)methyl-phenoxyphosphoryl]amino]propanoate?
The canonical SMILES for propan-2-yl 2-[[(7-carbamoylnaphthalen-2-yl)methyl-phenoxyphosphoryl]amino]propanoate is CC(C)OC(=O)C(C)NP(=O)(Cc1ccc2ccc(C(N)=O)cc2c1)Oc1ccccc1.
What is the InChIKey of propan-2-yl 2-[[(7-carbamoylnaphthalen-2-yl)methyl-phenoxyphosphoryl]amino]propanoate?
The InChIKey is OUCXJZXWSIPOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N2O5P/c1-16(2)30-24(28)17(3)26-32(29,31-22-7-5-4-6-8-22)15-18-9-10-19-11-12-20(23(25)27)14-21(19)13-18/h4-14,16-17H,15H2,1-3H3,(H2,25,27)(H,26,29).
What are the key properties of propan-2-yl 2-[[(7-carbamoylnaphthalen-2-yl)methyl-phenoxyphosphoryl]amino]propanoate?
propan-2-yl 2-[[(7-carbamoylnaphthalen-2-yl)methyl-phenoxyphosphoryl]amino]propanoate has a molecular weight of 454.46 g/mol, XLogP of 4.64, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[(7-carbamoylnaphthalen-2-yl)methyl-phenoxyphosphoryl]amino]propanoate is sourced from PubChem (CID 168980703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).