(3S)-3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide

C20H27N3O — CID 99626273

IUPAC(3S)-3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
SMILESCN(C)C[C@@H]1CCN(C(=O)NCCc2ccc3ccccc3c2)C1
InChIInChI=1S/C20H27N3O/c1-22(2)14-17-10-12-23(15-17)20(24)21-11-9-16-7-8-18-5-3-4-6-19(18)13-16/h3-8,13,17H,9-12,14-15H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyQVCNREWXYCTRMU-KRWDZBQOSA-N
MW325.46 g/mol
LogP2.98
Rot. Bonds5

About (3S)-3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide

(3S)-3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide (PubChem CID 99626273) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is (3S)-3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
PubChem CID99626273
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name(3S)-3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
SMILESCN(C)C[C@@H]1CCN(C(=O)NCCc2ccc3ccccc3c2)C1
InChIInChI=1S/C20H27N3O/c1-22(2)14-17-10-12-23(15-17)20(24)21-11-9-16-7-8-18-5-3-4-6-19(18)13-16/h3-8,13,17H,9-12,14-15H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyQVCNREWXYCTRMU-KRWDZBQOSA-N
XLogP2.98
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
CID 91661425
(3R)-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
CID 126425758
(3S)-3-[(dimethylamino)methyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 99626639
(3S)-3-[(dimethylamino)methyl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 99627252
3-[(1-methylpyrazol-4-yl)methyl]-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 71865708
(2R)-N-[(2R)-1-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide
CID 11113984
N-[2-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443632
2-[methyl-[1-(naphthalen-2-ylmethylcarbamoyl)azepan-4-yl]amino]acetic acid
CID 122000969
2-methyl-N-(2-naphthalen-2-ylethyl)propanamide
CID 118336690
(3R)-N-[2-(2,4-difluorophenoxy)ethyl]-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide
CID 99626997
(3R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide
CID 99626919
N-[2-(3-bromophenyl)ethyl]-4-methylpiperidine-1-carboxamide
CID 108901581

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide (CID 99626273) is (3S)-3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide is CN(C)C[C@@H]1CCN(C(=O)NCCc2ccc3ccccc3c2)C1.
What is the InChIKey of (3S)-3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide?
The InChIKey is QVCNREWXYCTRMU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N3O/c1-22(2)14-17-10-12-23(15-17)20(24)21-11-9-16-7-8-18-5-3-4-6-19(18)13-16/h3-8,13,17H,9-12,14-15H2,1-2H3,(H,21,24)/t17-/m0/s1.
What are the key properties of (3S)-3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide?
(3S)-3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 99626273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).