(2S,4R)-4-(naphthalen-1-ylmethylamino)-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide

C22H31N3O — CID 28822745

IUPAC(2S,4R)-4-(naphthalen-1-ylmethylamino)-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1C[C@@H](NCc2cccc3ccccc23)CN1C(C)C
InChIInChI=1S/C22H31N3O/c1-15(2)24-22(26)21-12-19(14-25(21)16(3)4)23-13-18-10-7-9-17-8-5-6-11-20(17)18/h5-11,15-16,19,21,23H,12-14H2,1-4H3,(H,24,26)/t19-,21+/m1/s1
InChIKeyVCKZHVCCQFOXIE-CTNGQTDRSA-N
MW353.51 g/mol
LogP3.31
Rot. Bonds6

About (2S,4R)-4-(naphthalen-1-ylmethylamino)-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide

(2S,4R)-4-(naphthalen-1-ylmethylamino)-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 28822745) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is (2S,4R)-4-(naphthalen-1-ylmethylamino)-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-(naphthalen-1-ylmethylamino)-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
PubChem CID28822745
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name(2S,4R)-4-(naphthalen-1-ylmethylamino)-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1C[C@@H](NCc2cccc3ccccc23)CN1C(C)C
InChIInChI=1S/C22H31N3O/c1-15(2)24-22(26)21-12-19(14-25(21)16(3)4)23-13-18-10-7-9-17-8-5-6-11-20(17)18/h5-11,15-16,19,21,23H,12-14H2,1-4H3,(H,24,26)/t19-,21+/m1/s1
InChIKeyVCKZHVCCQFOXIE-CTNGQTDRSA-N
XLogP3.31
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-4-[(2-chlorophenyl)methylamino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
CID 45236019
(2S,4R)-4-[(2,6-difluorophenyl)methylamino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
CID 28954775
(2S,4R)-4-[(3-methylphenyl)methylamino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
CID 29152058
(2S,4S)-4-(naphthalen-1-ylmethylamino)-N-propan-2-yl-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 45218895
(2S,4R)-4-[(3-fluorophenyl)methylamino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
CID 45251677
(2S,4R)-4-[(2-methyl-3-phenylprop-2-enyl)amino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
CID 91940254
(2S,4R)-1-(naphthalen-1-ylmethyl)-N-propan-2-yl-4-[(1-propylpiperidin-4-yl)amino]pyrrolidine-2-carboxamide
CID 45213127
3-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 43317418
1-(naphthalen-1-ylmethyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 60609439
(2S,4R)-4-[(2,6-difluorophenyl)methylamino]-N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
CID 126466713
(2S,4S)-4-(benzylamino)-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide
CID 45222870
(2S,4R)-1-benzyl-4-[(3-methoxyphenyl)methylamino]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 126465083

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(naphthalen-1-ylmethylamino)-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-(naphthalen-1-ylmethylamino)-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide (CID 28822745) is (2S,4R)-4-(naphthalen-1-ylmethylamino)-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-(naphthalen-1-ylmethylamino)-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-(naphthalen-1-ylmethylamino)-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide is CC(C)NC(=O)[C@@H]1C[C@@H](NCc2cccc3ccccc23)CN1C(C)C.
What is the InChIKey of (2S,4R)-4-(naphthalen-1-ylmethylamino)-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is VCKZHVCCQFOXIE-CTNGQTDRSA-N. The full InChI is InChI=1S/C22H31N3O/c1-15(2)24-22(26)21-12-19(14-25(21)16(3)4)23-13-18-10-7-9-17-8-5-6-11-20(17)18/h5-11,15-16,19,21,23H,12-14H2,1-4H3,(H,24,26)/t19-,21+/m1/s1.
What are the key properties of (2S,4R)-4-(naphthalen-1-ylmethylamino)-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide?
(2S,4R)-4-(naphthalen-1-ylmethylamino)-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 353.51 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(naphthalen-1-ylmethylamino)-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 28822745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).