[3-carbamoyl-4-(cyclopropylmethylamino)phenyl]-(1-methylcyclopropyl)-oxophosphanium

C15H20N2O2P+ — CID 169187282

IUPAC[3-carbamoyl-4-(cyclopropylmethylamino)phenyl]-(1-methylcyclopropyl)-oxophosphanium
SMILESCC1([P+](=O)c2ccc(NCC3CC3)c(C(N)=O)c2)CC1
InChIInChI=1S/C15H19N2O2P/c1-15(6-7-15)20(19)11-4-5-13(12(8-11)14(16)18)17-9-10-2-3-10/h4-5,8,10H,2-3,6-7,9H2,1H3,(H2-,16,17,18,19)/p+1
InChIKeyDPKVZDXZAHKDBU-UHFFFAOYSA-O
MW291.31 g/mol
LogP2.61
Rot. Bonds6

About [3-carbamoyl-4-(cyclopropylmethylamino)phenyl]-(1-methylcyclopropyl)-oxophosphanium

[3-carbamoyl-4-(cyclopropylmethylamino)phenyl]-(1-methylcyclopropyl)-oxophosphanium (PubChem CID 169187282) has the molecular formula C15H20N2O2P+ and a molecular weight of 291.31 g/mol. Its IUPAC name is [3-carbamoyl-4-(cyclopropylmethylamino)phenyl]-(1-methylcyclopropyl)-oxophosphanium.

Molecular Properties

Compound Name[3-carbamoyl-4-(cyclopropylmethylamino)phenyl]-(1-methylcyclopropyl)-oxophosphanium
PubChem CID169187282
Molecular FormulaC15H20N2O2P+
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name[3-carbamoyl-4-(cyclopropylmethylamino)phenyl]-(1-methylcyclopropyl)-oxophosphanium
SMILESCC1([P+](=O)c2ccc(NCC3CC3)c(C(N)=O)c2)CC1
InChIInChI=1S/C15H19N2O2P/c1-15(6-7-15)20(19)11-4-5-13(12(8-11)14(16)18)17-9-10-2-3-10/h4-5,8,10H,2-3,6-7,9H2,1H3,(H2-,16,17,18,19)/p+1
InChIKeyDPKVZDXZAHKDBU-UHFFFAOYSA-O
XLogP2.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-carbamoyl-4-(cyclopropylmethylamino)phenyl]-(1-methylcyclopropyl)-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-carbamoyl-4-(cyclopropylmethylamino)phenyl]-(1-methylcyclopropyl)-oxophosphanium?
The IUPAC name of [3-carbamoyl-4-(cyclopropylmethylamino)phenyl]-(1-methylcyclopropyl)-oxophosphanium (CID 169187282) is [3-carbamoyl-4-(cyclopropylmethylamino)phenyl]-(1-methylcyclopropyl)-oxophosphanium.
What is the SMILES notation for [3-carbamoyl-4-(cyclopropylmethylamino)phenyl]-(1-methylcyclopropyl)-oxophosphanium?
The canonical SMILES for [3-carbamoyl-4-(cyclopropylmethylamino)phenyl]-(1-methylcyclopropyl)-oxophosphanium is CC1([P+](=O)c2ccc(NCC3CC3)c(C(N)=O)c2)CC1.
What is the InChIKey of [3-carbamoyl-4-(cyclopropylmethylamino)phenyl]-(1-methylcyclopropyl)-oxophosphanium?
The InChIKey is DPKVZDXZAHKDBU-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H19N2O2P/c1-15(6-7-15)20(19)11-4-5-13(12(8-11)14(16)18)17-9-10-2-3-10/h4-5,8,10H,2-3,6-7,9H2,1H3,(H2-,16,17,18,19)/p+1.
What are the key properties of [3-carbamoyl-4-(cyclopropylmethylamino)phenyl]-(1-methylcyclopropyl)-oxophosphanium?
[3-carbamoyl-4-(cyclopropylmethylamino)phenyl]-(1-methylcyclopropyl)-oxophosphanium has a molecular weight of 291.31 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-carbamoyl-4-(cyclopropylmethylamino)phenyl]-(1-methylcyclopropyl)-oxophosphanium is sourced from PubChem (CID 169187282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).