3-(dimethylamino)-N-[3-[4-(4-hydroxybenzoyl)-2-azabicyclo[1.1.0]butan-1-yl]-4-methylphenyl]benzamide

C26H25N3O3 — CID 143166663

IUPAC3-(dimethylamino)-N-[3-[4-(4-hydroxybenzoyl)-2-azabicyclo[1.1.0]butan-1-yl]-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1C12NC1C2C(=O)c1ccc(O)cc1
InChIInChI=1S/C26H25N3O3/c1-15-7-10-18(27-25(32)17-5-4-6-19(13-17)29(2)3)14-21(15)26-22(24(26)28-26)23(31)16-8-11-20(30)12-9-16/h4-14,22,24,28,30H,1-3H3,(H,27,32)
InChIKeyVEOQZMDPZYUZQD-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.70
Rot. Bonds6

About 3-(dimethylamino)-N-[3-[4-(4-hydroxybenzoyl)-2-azabicyclo[1.1.0]butan-1-yl]-4-methylphenyl]benzamide

3-(dimethylamino)-N-[3-[4-(4-hydroxybenzoyl)-2-azabicyclo[1.1.0]butan-1-yl]-4-methylphenyl]benzamide (PubChem CID 143166663) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[3-[4-(4-hydroxybenzoyl)-2-azabicyclo[1.1.0]butan-1-yl]-4-methylphenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[3-[4-(4-hydroxybenzoyl)-2-azabicyclo[1.1.0]butan-1-yl]-4-methylphenyl]benzamide
PubChem CID143166663
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name3-(dimethylamino)-N-[3-[4-(4-hydroxybenzoyl)-2-azabicyclo[1.1.0]butan-1-yl]-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1C12NC1C2C(=O)c1ccc(O)cc1
InChIInChI=1S/C26H25N3O3/c1-15-7-10-18(27-25(32)17-5-4-6-19(13-17)29(2)3)14-21(15)26-22(24(26)28-26)23(31)16-8-11-20(30)12-9-16/h4-14,22,24,28,30H,1-3H3,(H,27,32)
InChIKeyVEOQZMDPZYUZQD-UHFFFAOYSA-N
XLogP3.70
TPSA91.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-(dimethylamino)-N-[3-[4-(4-hydroxybenzoyl)-2-azabicyclo[1.1.0]butan-1-yl]-4-methylphenyl]benzamide 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

3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
3-(dimethylamino)-N-[3-[[(4-hydroxyphenyl)-phenylmethyl]amino]-4-methylphenyl]benzamide
CID 150182067
3-(dimethylamino)-N-(4-methyl-3-nitrophenyl)benzamide
CID 22057965
N-(4-carbamothioylphenyl)-3-(dimethylamino)benzamide
CID 43329185
3-(dimethylamino)-N-(4-methoxy-3-methylphenyl)benzamide
CID 87032363
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589
N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3-(methanesulfonamido)benzamide
CID 22291070
N-(4-bromophenyl)-3-(dimethylamino)benzamide
CID 690521
3-(dimethylamino)-N-[3-(1H-indol-5-yl)-4-methylphenyl]benzamide
CID 50995790
(E)-3-[3-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]phenyl]prop-2-enoic acid
CID 50995047
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 51153492

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[3-[4-(4-hydroxybenzoyl)-2-azabicyclo[1.1.0]butan-1-yl]-4-methylphenyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[3-[4-(4-hydroxybenzoyl)-2-azabicyclo[1.1.0]butan-1-yl]-4-methylphenyl]benzamide (CID 143166663) is 3-(dimethylamino)-N-[3-[4-(4-hydroxybenzoyl)-2-azabicyclo[1.1.0]butan-1-yl]-4-methylphenyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[3-[4-(4-hydroxybenzoyl)-2-azabicyclo[1.1.0]butan-1-yl]-4-methylphenyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[3-[4-(4-hydroxybenzoyl)-2-azabicyclo[1.1.0]butan-1-yl]-4-methylphenyl]benzamide is Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1C12NC1C2C(=O)c1ccc(O)cc1.
What is the InChIKey of 3-(dimethylamino)-N-[3-[4-(4-hydroxybenzoyl)-2-azabicyclo[1.1.0]butan-1-yl]-4-methylphenyl]benzamide?
The InChIKey is VEOQZMDPZYUZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-15-7-10-18(27-25(32)17-5-4-6-19(13-17)29(2)3)14-21(15)26-22(24(26)28-26)23(31)16-8-11-20(30)12-9-16/h4-14,22,24,28,30H,1-3H3,(H,27,32).
What are the key properties of 3-(dimethylamino)-N-[3-[4-(4-hydroxybenzoyl)-2-azabicyclo[1.1.0]butan-1-yl]-4-methylphenyl]benzamide?
3-(dimethylamino)-N-[3-[4-(4-hydroxybenzoyl)-2-azabicyclo[1.1.0]butan-1-yl]-4-methylphenyl]benzamide has a molecular weight of 427.50 g/mol, XLogP of 3.70, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[3-[4-(4-hydroxybenzoyl)-2-azabicyclo[1.1.0]butan-1-yl]-4-methylphenyl]benzamide is sourced from PubChem (CID 143166663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).