N-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,4-dimethylpentan-2-yl]formamide

C17H34N3O3P — CID 170287950

IUPACN-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,4-dimethylpentan-2-yl]formamide
SMILESCC(C)N(C(C)C)P(OCCC#N)OC(C)(C)CC(C)(C)NC=O
InChIInChI=1S/C17H34N3O3P/c1-14(2)20(15(3)4)24(22-11-9-10-18)23-17(7,8)12-16(5,6)19-13-21/h13-15H,9,11-12H2,1-8H3,(H,19,21)
InChIKeyWCTBEWVYRMMZAY-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.97
Rot. Bonds12

About N-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,4-dimethylpentan-2-yl]formamide

N-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,4-dimethylpentan-2-yl]formamide (PubChem CID 170287950) has the molecular formula C17H34N3O3P and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,4-dimethylpentan-2-yl]formamide.

Molecular Properties

Compound NameN-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,4-dimethylpentan-2-yl]formamide
PubChem CID170287950
Molecular FormulaC17H34N3O3P
Molecular Weight359.45 g/mol
Exact Mass359.23
IUPAC NameN-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,4-dimethylpentan-2-yl]formamide
SMILESCC(C)N(C(C)C)P(OCCC#N)OC(C)(C)CC(C)(C)NC=O
InChIInChI=1S/C17H34N3O3P/c1-14(2)20(15(3)4)24(22-11-9-10-18)23-17(7,8)12-16(5,6)19-13-21/h13-15H,9,11-12H2,1-8H3,(H,19,21)
InChIKeyWCTBEWVYRMMZAY-UHFFFAOYSA-N
XLogP3.97
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[di(propan-2-yl)amino]-[3-methyl-3-(3-methylbutoxy)butoxy]phosphanyl]oxypropanenitrile;ethane
CID 170645688
3-[[di(propan-2-yl)amino]-prop-2-ynoxyphosphanyl]oxypropanenitrile
CID 166792181
3-[[di(propan-2-yl)amino]-(2-ethylsulfonylethoxy)phosphanyl]oxypropanenitrile
CID 76660393
3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxypropanenitrile;methylhydrazine
CID 170783738
3-[2-(dimethylamino)ethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 88576258
3-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 46852394
3-[2-deuterioethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 88572187
3-[[4-(4-tert-butylphenyl)phenoxy]-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 166498758
N-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2-(2,2,4,4-tetramethylpentanoylamino)ethyl]-2,2,4,4-tetramethylpentanamide
CID 135293031
2-bromo-N-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentyl]-2-methylpropanamide
CID 132523788
3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;ethane;N-propan-2-ylpropan-2-amine
CID 170630587
N-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide
CID 88925286

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,4-dimethylpentan-2-yl]formamide?
The IUPAC name of N-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,4-dimethylpentan-2-yl]formamide (CID 170287950) is N-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,4-dimethylpentan-2-yl]formamide.
What is the SMILES notation for N-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,4-dimethylpentan-2-yl]formamide?
The canonical SMILES for N-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,4-dimethylpentan-2-yl]formamide is CC(C)N(C(C)C)P(OCCC#N)OC(C)(C)CC(C)(C)NC=O.
What is the InChIKey of N-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,4-dimethylpentan-2-yl]formamide?
The InChIKey is WCTBEWVYRMMZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N3O3P/c1-14(2)20(15(3)4)24(22-11-9-10-18)23-17(7,8)12-16(5,6)19-13-21/h13-15H,9,11-12H2,1-8H3,(H,19,21).
What are the key properties of N-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,4-dimethylpentan-2-yl]formamide?
N-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,4-dimethylpentan-2-yl]formamide has a molecular weight of 359.45 g/mol, XLogP of 3.97, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,4-dimethylpentan-2-yl]formamide is sourced from PubChem (CID 170287950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).