4-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxybutylcarbamic acid

C12H27N2O4P — CID 91475928

IUPAC4-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxybutylcarbamic acid
SMILESCOP(OCCCCNC(=O)O)N(C(C)C)C(C)C
InChIInChI=1S/C12H27N2O4P/c1-10(2)14(11(3)4)19(17-5)18-9-7-6-8-13-12(15)16/h10-11,13H,6-9H2,1-5H3,(H,15,16)
InChIKeyZAMSLPLSIWEAHA-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.04
Rot. Bonds10

About 4-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxybutylcarbamic acid

4-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxybutylcarbamic acid (PubChem CID 91475928) has the molecular formula C12H27N2O4P and a molecular weight of 294.33 g/mol. Its IUPAC name is 4-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxybutylcarbamic acid.

Molecular Properties

Compound Name4-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxybutylcarbamic acid
PubChem CID91475928
Molecular FormulaC12H27N2O4P
Molecular Weight294.33 g/mol
Exact Mass294.17
IUPAC Name4-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxybutylcarbamic acid
SMILESCOP(OCCCCNC(=O)O)N(C(C)C)C(C)C
InChIInChI=1S/C12H27N2O4P/c1-10(2)14(11(3)4)19(17-5)18-9-7-6-8-13-12(15)16/h10-11,13H,6-9H2,1-5H3,(H,15,16)
InChIKeyZAMSLPLSIWEAHA-UHFFFAOYSA-N
XLogP3.04
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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]-methoxyphosphanyl]oxypropylcarbamic acid
CID 91605110
N-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-2,2,2-trifluoroacetamide
CID 54183086
N-[hexoxy(methoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 59518293
N-[4-[1-aminopropan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-2,2,2-trifluoroacetamide
CID 89002790
6-propan-2-yloxyhexylcarbamic acid
CID 126658630
2-bromo-N-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentyl]-2-methylpropanamide
CID 132523788
N-[6-[[di(propan-2-yl)amino]-(3-methyliminopropoxy)phosphanyl]oxyhexyl]-2,2,2-trifluoroacetamide
CID 176716502
N-[4-[[di(propan-2-yl)amino]-methylphosphanyl]oxybutyl]-2,2,2-trifluoroacetamide;methane
CID 158284909
N-[3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropyl]-2-methylprop-2-enamide
CID 56960783
4-(methoxycarbonylamino)butylcarbamic acid
CID 139823188
5-acetyloxypentylcarbamic acid
CID 151401165
4-trimethylsilyloxybutylcarbamic acid
CID 87814619

Frequently Asked Questions

What is the IUPAC name of 4-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxybutylcarbamic acid?
The IUPAC name of 4-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxybutylcarbamic acid (CID 91475928) is 4-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxybutylcarbamic acid.
What is the SMILES notation for 4-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxybutylcarbamic acid?
The canonical SMILES for 4-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxybutylcarbamic acid is COP(OCCCCNC(=O)O)N(C(C)C)C(C)C.
What is the InChIKey of 4-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxybutylcarbamic acid?
The InChIKey is ZAMSLPLSIWEAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N2O4P/c1-10(2)14(11(3)4)19(17-5)18-9-7-6-8-13-12(15)16/h10-11,13H,6-9H2,1-5H3,(H,15,16).
What are the key properties of 4-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxybutylcarbamic acid?
4-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxybutylcarbamic acid has a molecular weight of 294.33 g/mol, XLogP of 3.04, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxybutylcarbamic acid is sourced from PubChem (CID 91475928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).