[4-(dimethylamino)phenyl]-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]methanone

C25H27N3O2 — CID 108547222

IUPAC[4-(dimethylamino)phenyl]-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCCN(C(=O)c3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C25H27N3O2/c1-26(2)21-13-11-20(12-14-21)24(29)27-15-6-16-28(18-17-27)25(30)23-10-5-8-19-7-3-4-9-22(19)23/h3-5,7-14H,6,15-18H2,1-2H3
InChIKeyXMOSGUVAWFLRRI-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.89
Rot. Bonds3

About [4-(dimethylamino)phenyl]-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]methanone

[4-(dimethylamino)phenyl]-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]methanone (PubChem CID 108547222) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]methanone
PubChem CID108547222
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name[4-(dimethylamino)phenyl]-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCCN(C(=O)c3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C25H27N3O2/c1-26(2)21-13-11-20(12-14-21)24(29)27-15-6-16-28(18-17-27)25(30)23-10-5-8-19-7-3-4-9-22(19)23/h3-5,7-14H,6,15-18H2,1-2H3
InChIKeyXMOSGUVAWFLRRI-UHFFFAOYSA-N
XLogP3.89
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(dimethylamino)phenyl]-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]methanone 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

[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
[4-(dimethylamino)phenyl]-[4-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 108547591
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 2169062
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 108569250
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 46584805
N-methyl-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 35251820
1-[4-[4-(dimethylamino)benzoyl]-1,4-diazepan-1-yl]-3,3-dimethylbutan-1-one
CID 110809465
N-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-1-carboxamide
CID 2986145
[4-(2-aminoethyl)-1,4-diazepan-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 43251681
[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32770513
1-[4-[4-(dimethylamino)benzoyl]-1,4-diazepan-1-yl]-4-(2-methylphenoxy)butan-1-one
CID 108547102
1,4-diazepan-1-yl(naphthalen-1-yl)methanone
CID 18933042

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]methanone (CID 108547222) is [4-(dimethylamino)phenyl]-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]methanone is CN(C)c1ccc(C(=O)N2CCCN(C(=O)c3cccc4ccccc34)CC2)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is XMOSGUVAWFLRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-26(2)21-13-11-20(12-14-21)24(29)27-15-6-16-28(18-17-27)25(30)23-10-5-8-19-7-3-4-9-22(19)23/h3-5,7-14H,6,15-18H2,1-2H3.
What are the key properties of [4-(dimethylamino)phenyl]-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]methanone?
[4-(dimethylamino)phenyl]-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 401.51 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 108547222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).