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

C25H29N3O — CID 7496456

IUPACN-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide
SMILESCN(C)c1ccc([C@H](CNC(=O)c2cccc3ccccc23)N2CCCC2)cc1
InChIInChI=1S/C25H29N3O/c1-27(2)21-14-12-20(13-15-21)24(28-16-5-6-17-28)18-26-25(29)23-11-7-9-19-8-3-4-10-22(19)23/h3-4,7-15,24H,5-6,16-18H2,1-2H3,(H,26,29)/t24-/m0/s1
InChIKeyFCTDDVQEHLJHJN-DEOSSOPVSA-N
MW387.53 g/mol
LogP4.47
Rot. Bonds6

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

N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide (PubChem CID 7496456) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide
PubChem CID7496456
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC NameN-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide
SMILESCN(C)c1ccc([C@H](CNC(=O)c2cccc3ccccc23)N2CCCC2)cc1
InChIInChI=1S/C25H29N3O/c1-27(2)21-14-12-20(13-15-21)24(28-16-5-6-17-28)18-26-25(29)23-11-7-9-19-8-3-4-10-22(19)23/h3-4,7-15,24H,5-6,16-18H2,1-2H3,(H,26,29)/t24-/m0/s1
InChIKeyFCTDDVQEHLJHJN-DEOSSOPVSA-N
XLogP4.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.47
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'}

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Related Compounds

N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-fluorobenzamide
CID 7496319
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide;hydrochloride
CID 52985345
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2,6-difluorobenzamide
CID 7496297
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-oxochromene-3-carboxamide
CID 20962582
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-1-carboxamide
CID 7496009
N-[2-[4-(dimethylamino)phenyl]-2-piperidin-1-ylethyl]-3-fluorobenzamide
CID 112506893
N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 18564930
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-fluorobenzamide
CID 7497127
[(1S)-1-[4-(dimethylamino)phenyl]-2-(naphthalene-1-carbonylamino)ethyl]-dimethylazanium
CID 7496006
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-naphthalen-1-ylacetamide
CID 7496868
4-(dimethylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4827588
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]naphthalene-1-carboxamide
CID 26834307

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide (CID 7496456) is N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide is CN(C)c1ccc([C@H](CNC(=O)c2cccc3ccccc23)N2CCCC2)cc1.
What is the InChIKey of N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide?
The InChIKey is FCTDDVQEHLJHJN-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H29N3O/c1-27(2)21-14-12-20(13-15-21)24(28-16-5-6-17-28)18-26-25(29)23-11-7-9-19-8-3-4-10-22(19)23/h3-4,7-15,24H,5-6,16-18H2,1-2H3,(H,26,29)/t24-/m0/s1.
What are the key properties of N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide?
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 7496456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).