N,N-dimethyl-4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzamide;hydrochloride

C25H30ClN3O — CID 67410917

IUPACN,N-dimethyl-4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzamide;hydrochloride
SMILESC[C@@H](NC1CCN(c2ccc(C(=O)N(C)C)cc2)C1)c1cccc2ccccc12.Cl
InChIInChI=1S/C25H29N3O.ClH/c1-18(23-10-6-8-19-7-4-5-9-24(19)23)26-21-15-16-28(17-21)22-13-11-20(12-14-22)25(29)27(2)3;/h4-14,18,21,26H,15-17H2,1-3H3;1H/t18-,21?;/m1./s1
InChIKeyJTUGTKAPCDMOSP-APUUZKBCSA-N
MW423.99 g/mol
LogP4.89
Rot. Bonds5

About N,N-dimethyl-4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzamide;hydrochloride

N,N-dimethyl-4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzamide;hydrochloride (PubChem CID 67410917) has the molecular formula C25H30ClN3O and a molecular weight of 423.99 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzamide;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzamide;hydrochloride
PubChem CID67410917
Molecular FormulaC25H30ClN3O
Molecular Weight423.99 g/mol
Exact Mass423.21
IUPAC NameN,N-dimethyl-4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzamide;hydrochloride
SMILESC[C@@H](NC1CCN(c2ccc(C(=O)N(C)C)cc2)C1)c1cccc2ccccc12.Cl
InChIInChI=1S/C25H29N3O.ClH/c1-18(23-10-6-8-19-7-4-5-9-24(19)23)26-21-15-16-28(17-21)22-13-11-20(12-14-22)25(29)27(2)3;/h4-14,18,21,26H,15-17H2,1-3H3;1H/t18-,21?;/m1./s1
InChIKeyJTUGTKAPCDMOSP-APUUZKBCSA-N
XLogP4.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.99
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzamide;methane;N-methylmethanamine;4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzoic acid;4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzoyl chloride;sulfane;tetrahydrochloride
CID 159577773
2-[[4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzoyl]amino]acetic acid
CID 67407591
1-[4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 175139802
ethyl 2-[4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]acetate
CID 150085574
2-[1-[4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]cyclopropyl]acetic acid
CID 175139277
1-[3-[[4-[(3R)-3-[[(1S)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzoyl]amino]propyl]piperidine-4-carboxylic acid
CID 134817165
1-[4-[(3S)-3-(1-naphthalen-1-ylethylamino)pyrrolidin-1-yl]phenyl]-5-(oxomethylidene)pyrrolidine-3-carboxylic acid
CID 175139803
N,N-dimethyl-4-[2-[(1-naphthalen-1-ylethylamino)methyl]morpholin-4-yl]benzamide
CID 77464215
2-[[3-[4-[(3S)-3-(1-naphthalen-1-ylethylamino)pyrrolidin-1-yl]phenyl]oxetan-3-yl]amino]acetic acid
CID 175150346
N-(1-naphthalen-1-ylethyl)-1-pyrimidin-2-ylpyrrolidin-3-amine
CID 67408270
1-[2-fluoro-5-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxylic acid
CID 175144367
N,N-dimethyl-4-[2-[(1-naphthalen-1-ylethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]benzamide
CID 77489021

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzamide;hydrochloride?
The IUPAC name of N,N-dimethyl-4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzamide;hydrochloride (CID 67410917) is N,N-dimethyl-4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzamide;hydrochloride.
What is the SMILES notation for N,N-dimethyl-4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzamide;hydrochloride?
The canonical SMILES for N,N-dimethyl-4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzamide;hydrochloride is C[C@@H](NC1CCN(c2ccc(C(=O)N(C)C)cc2)C1)c1cccc2ccccc12.Cl.
What is the InChIKey of N,N-dimethyl-4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzamide;hydrochloride?
The InChIKey is JTUGTKAPCDMOSP-APUUZKBCSA-N. The full InChI is InChI=1S/C25H29N3O.ClH/c1-18(23-10-6-8-19-7-4-5-9-24(19)23)26-21-15-16-28(17-21)22-13-11-20(12-14-22)25(29)27(2)3;/h4-14,18,21,26H,15-17H2,1-3H3;1H/t18-,21?;/m1./s1.
What are the key properties of N,N-dimethyl-4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzamide;hydrochloride?
N,N-dimethyl-4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzamide;hydrochloride has a molecular weight of 423.99 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzamide;hydrochloride is sourced from PubChem (CID 67410917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).