CID 167448036

C20H35BN2O — CID 167448036

IUPAC—
SMILESCCN(CCN(C)CC(C)C)c1ccc(C(=O)C(C)C)cc1.[B]C
InChIInChI=1S/C19H32N2O.CH3B/c1-7-21(13-12-20(6)14-15(2)3)18-10-8-17(9-11-18)19(22)16(4)5;1-2/h8-11,15-16H,7,12-14H2,1-6H3;1H3
InChIKeyIWJWJNZDAPGKFE-UHFFFAOYSA-N
MW330.33 g/mol
LogP4.14
Rot. Bonds9

About CID 167448036

CID 167448036 (PubChem CID 167448036) has the molecular formula C20H35BN2O and a molecular weight of 330.33 g/mol.

Molecular Properties

Compound NameCID 167448036
PubChem CID167448036
Molecular FormulaC20H35BN2O
Molecular Weight330.33 g/mol
Exact Mass330.28
IUPAC Name—
SMILESCCN(CCN(C)CC(C)C)c1ccc(C(=O)C(C)C)cc1.[B]C
InChIInChI=1S/C19H32N2O.CH3B/c1-7-21(13-12-20(6)14-15(2)3)18-10-8-17(9-11-18)19(22)16(4)5;1-2/h8-11,15-16H,7,12-14H2,1-6H3;1H3
InChIKeyIWJWJNZDAPGKFE-UHFFFAOYSA-N
XLogP4.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 167448036 with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-[benzyl(ethyl)amino]phenyl]-2-methylpropan-1-one
CID 39381681
1-[4-[2-(dimethylamino)ethyl-ethylamino]phenyl]ethanone
CID 123268766
2-amino-1-[4-(diethylamino)phenyl]propan-1-one
CID 83971993
(E)-2-cyano-3-[4-[2-(dimethylamino)ethyl-ethylamino]phenyl]but-2-enamide;3-methylbutan-1-ol
CID 153371359
4-[ethyl(propyl)amino]-N-[2-(methylamino)propyl]benzamide
CID 120829950
3-[4-carbamoyl-N-[2-(dimethylamino)ethyl]anilino]-2-methylpropanoic acid
CID 82319869
1-(4-fluorophenyl)-4-[methyl(2-methylpropyl)amino]butan-1-one
CID 43792985
3-(N-ethylanilino)-2-methyl-1-phenylpropan-1-one
CID 62611635
3-(N-ethyl-4-methylanilino)-2-methyl-1-phenylpropan-1-one
CID 63483365
1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-methylpropan-1-one
CID 59751506
N-(3-amino-2-methylpropyl)-4-[ethyl(propyl)amino]benzamide
CID 119996678
1-[4-[methyl(2-methylpropyl)amino]phenyl]ethanone
CID 43272204

Frequently Asked Questions

What is the IUPAC name of CID 167448036?
The IUPAC name of CID 167448036 (CID 167448036) is not available.
What is the SMILES notation for CID 167448036?
The canonical SMILES for CID 167448036 is CCN(CCN(C)CC(C)C)c1ccc(C(=O)C(C)C)cc1.[B]C.
What is the InChIKey of CID 167448036?
The InChIKey is IWJWJNZDAPGKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O.CH3B/c1-7-21(13-12-20(6)14-15(2)3)18-10-8-17(9-11-18)19(22)16(4)5;1-2/h8-11,15-16H,7,12-14H2,1-6H3;1H3.
What are the key properties of CID 167448036?
CID 167448036 has a molecular weight of 330.33 g/mol, XLogP of 4.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167448036 is sourced from PubChem (CID 167448036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).