N-[1-[(2R,3R,4R,5S)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;methane

C31H48N5O7P — CID 158239272

About N-[1-[(2R,3R,4R,5S)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;methane

N-[1-[(2R,3R,4R,5S)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;methane (PubChem CID 158239272) has the molecular formula C31H48N5O7P and a molecular weight of 633.73 g/mol. Its IUPAC name is N-[1-[(2R,3R,4R,5S)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;methane.

Molecular Properties

• Compound Name: N-[1-[(2R,3R,4R,5S)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;methane
• PubChem CID: 158239272
• Molecular Formula: C31H48N5O7P
• Molecular Weight: 633.73 g/mol
• Exact Mass: 633.33
• IUPAC Name: N-[1-[(2R,3R,4R,5S)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;methane
• SMILES: C.[C-]#[N+]CCOP(OC[C@H]1O[C@@H](n2cc(C)c(NC(=O)c3ccccc3)nc2=O)[C@H](OCCOC)[C@@H]1C)N(C(C)C)C(C)C
• InChI: InChI=1S/C30H44N5O7P.CH4/c1-20(2)35(21(3)4)43(40-15-14-31-7)41-19-25-23(6)26(39-17-16-38-8)29(42-25)34-18-22(5)27(33-30(34)37)32-28(36)24-12-10-9-11-13-24;/h9-13,18,20-21,23,25-26,29H,14-17,19H2,1-6,8H3,(H,32,33,36,37);1H4/t23-,25-,26-,29-,43?;/m1./s1
• InChIKey: GFIRIAKDDUTXRU-AJCOTKPZSA-N
• XLogP: 5.30
• TPSA: 117.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.73
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,3R,4R,5S)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;methane?

The IUPAC name of N-[1-[(2R,3R,4R,5S)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;methane (CID 158239272) is N-[1-[(2R,3R,4R,5S)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;methane.

What is the SMILES notation for N-[1-[(2R,3R,4R,5S)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;methane?

The canonical SMILES for N-[1-[(2R,3R,4R,5S)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;methane is C.[C-]#[N+]CCOP(OC[C@H]1O[C@@H](n2cc(C)c(NC(=O)c3ccccc3)nc2=O)[C@H](OCCOC)[C@@H]1C)N(C(C)C)C(C)C.

What is the InChIKey of N-[1-[(2R,3R,4R,5S)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;methane?

The InChIKey is GFIRIAKDDUTXRU-AJCOTKPZSA-N. The full InChI is InChI=1S/C30H44N5O7P.CH4/c1-20(2)35(21(3)4)43(40-15-14-31-7)41-19-25-23(6)26(39-17-16-38-8)29(42-25)34-18-22(5)27(33-30(34)37)32-28(36)24-12-10-9-11-13-24;/h9-13,18,20-21,23,25-26,29H,14-17,19H2,1-6,8H3,(H,32,33,36,37);1H4/t23-,25-,26-,29-,43?;/m1./s1.

What are the key properties of N-[1-[(2R,3R,4R,5S)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;methane?

N-[1-[(2R,3R,4R,5S)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;methane has a molecular weight of 633.73 g/mol, XLogP of 5.30, 16 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2R,3R,4R,5S)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;methane is sourced from PubChem (CID 158239272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).