N-(4-dimethylphosphanyl-4-methylphosphanylbutyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C15H27NOP2 — CID 167178973

IUPACN-(4-dimethylphosphanyl-4-methylphosphanylbutyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCPC(CCCNC(=O)C1CC2C=CC1C2)P(C)C
InChIInChI=1S/C15H27NOP2/c1-18-14(19(2)3)5-4-8-16-15(17)13-10-11-6-7-12(13)9-11/h6-7,11-14,18H,4-5,8-10H2,1-3H3,(H,16,17)
InChIKeyPSPYPTHIXKGJDB-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.47
Rot. Bonds7

About N-(4-dimethylphosphanyl-4-methylphosphanylbutyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-(4-dimethylphosphanyl-4-methylphosphanylbutyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 167178973) has the molecular formula C15H27NOP2 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(4-dimethylphosphanyl-4-methylphosphanylbutyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-(4-dimethylphosphanyl-4-methylphosphanylbutyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID167178973
Molecular FormulaC15H27NOP2
Molecular Weight299.33 g/mol
Exact Mass299.16
IUPAC NameN-(4-dimethylphosphanyl-4-methylphosphanylbutyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCPC(CCCNC(=O)C1CC2C=CC1C2)P(C)C
InChIInChI=1S/C15H27NOP2/c1-18-14(19(2)3)5-4-8-16-15(17)13-10-11-6-7-12(13)9-11/h6-7,11-14,18H,4-5,8-10H2,1-3H3,(H,16,17)
InChIKeyPSPYPTHIXKGJDB-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)hexanoate
CID 43404648
N-(6-oxohexyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 145444587
N-hex-5-ynylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 103758684
ethyl 4-[[(1R,2S,4R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]amino]butanoate
CID 95358495
2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)acetic acid
CID 24691859
(1R,2S,4S)-N-[3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 124855759
(1R,2S,4S)-N-[3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 124855758
CID 175824171
CID 175824171
N-(2-hydroxy-2-methylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 65110649
4-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-3-methylbutanoic acid
CID 81064143
methyl 3-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-2-hydroxypropanoate
CID 103491118
N-prop-2-enylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 54017402

Frequently Asked Questions

What is the IUPAC name of N-(4-dimethylphosphanyl-4-methylphosphanylbutyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-(4-dimethylphosphanyl-4-methylphosphanylbutyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 167178973) is N-(4-dimethylphosphanyl-4-methylphosphanylbutyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-(4-dimethylphosphanyl-4-methylphosphanylbutyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-(4-dimethylphosphanyl-4-methylphosphanylbutyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is CPC(CCCNC(=O)C1CC2C=CC1C2)P(C)C.
What is the InChIKey of N-(4-dimethylphosphanyl-4-methylphosphanylbutyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is PSPYPTHIXKGJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOP2/c1-18-14(19(2)3)5-4-8-16-15(17)13-10-11-6-7-12(13)9-11/h6-7,11-14,18H,4-5,8-10H2,1-3H3,(H,16,17).
What are the key properties of N-(4-dimethylphosphanyl-4-methylphosphanylbutyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-(4-dimethylphosphanyl-4-methylphosphanylbutyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dimethylphosphanyl-4-methylphosphanylbutyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 167178973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).