N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-1-carboxamide

C23H27N3O — CID 7496009

IUPACN-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-1-carboxamide
SMILESCN(C)c1ccc([C@H](CNC(=O)c2cccc3ccccc23)N(C)C)cc1
InChIInChI=1S/C23H27N3O/c1-25(2)19-14-12-18(13-15-19)22(26(3)4)16-24-23(27)21-11-7-9-17-8-5-6-10-20(17)21/h5-15,22H,16H2,1-4H3,(H,24,27)/t22-/m0/s1
InChIKeyKJKXMVLQVQKRDV-QFIPXVFZSA-N
MW361.49 g/mol
LogP3.94
Rot. Bonds6

About N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-1-carboxamide

N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-1-carboxamide (PubChem CID 7496009) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-1-carboxamide
PubChem CID7496009
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-1-carboxamide
SMILESCN(C)c1ccc([C@H](CNC(=O)c2cccc3ccccc23)N(C)C)cc1
InChIInChI=1S/C23H27N3O/c1-25(2)19-14-12-18(13-15-19)22(26(3)4)16-24-23(27)21-11-7-9-17-8-5-6-10-20(17)21/h5-15,22H,16H2,1-4H3,(H,24,27)/t22-/m0/s1
InChIKeyKJKXMVLQVQKRDV-QFIPXVFZSA-N
XLogP3.94
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-1-carboxamide 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

[(1S)-1-[4-(dimethylamino)phenyl]-2-(naphthalene-1-carbonylamino)ethyl]-dimethylazanium
CID 7496006
N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]naphthalene-1-carboxamide
CID 8701456
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide
CID 7496456
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ium-4-ylethyl]naphthalene-1-carboxamide
CID 7496865
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide
CID 7496029
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide
CID 7496027
N-benzyl-N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 7639141
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide
CID 7496074
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]furan-2-carboxamide
CID 7496015
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide
CID 3951994
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-naphthalen-1-ylacetamide
CID 41318235
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]propanamide
CID 7496001

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-1-carboxamide (CID 7496009) is N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-1-carboxamide is CN(C)c1ccc([C@H](CNC(=O)c2cccc3ccccc23)N(C)C)cc1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-1-carboxamide?
The InChIKey is KJKXMVLQVQKRDV-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H27N3O/c1-25(2)19-14-12-18(13-15-19)22(26(3)4)16-24-23(27)21-11-7-9-17-8-5-6-10-20(17)21/h5-15,22H,16H2,1-4H3,(H,24,27)/t22-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-1-carboxamide?
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-1-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 7496009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).