(2S,4R)-4-[(3-methylphenyl)methylamino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide

C19H31N3O — CID 29152058

IUPAC(2S,4R)-4-[(3-methylphenyl)methylamino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
SMILESCc1cccc(CN[C@@H]2C[C@@H](C(=O)NC(C)C)N(C(C)C)C2)c1
InChIInChI=1S/C19H31N3O/c1-13(2)21-19(23)18-10-17(12-22(18)14(3)4)20-11-16-8-6-7-15(5)9-16/h6-9,13-14,17-18,20H,10-12H2,1-5H3,(H,21,23)/t17-,18+/m1/s1
InChIKeyAMNYXXZESIJONW-MSOLQXFVSA-N
MW317.48 g/mol
LogP2.46
Rot. Bonds6

About (2S,4R)-4-[(3-methylphenyl)methylamino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide

(2S,4R)-4-[(3-methylphenyl)methylamino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 29152058) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is (2S,4R)-4-[(3-methylphenyl)methylamino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-[(3-methylphenyl)methylamino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
PubChem CID29152058
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name(2S,4R)-4-[(3-methylphenyl)methylamino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
SMILESCc1cccc(CN[C@@H]2C[C@@H](C(=O)NC(C)C)N(C(C)C)C2)c1
InChIInChI=1S/C19H31N3O/c1-13(2)21-19(23)18-10-17(12-22(18)14(3)4)20-11-16-8-6-7-15(5)9-16/h6-9,13-14,17-18,20H,10-12H2,1-5H3,(H,21,23)/t17-,18+/m1/s1
InChIKeyAMNYXXZESIJONW-MSOLQXFVSA-N
XLogP2.46
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-4-[(3-fluorophenyl)methylamino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
CID 45251677
(2S,4R)-4-[(2,6-difluorophenyl)methylamino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
CID 28954775
(2S,4R)-4-[(2-chlorophenyl)methylamino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
CID 45236019
(2S,4R)-4-(naphthalen-1-ylmethylamino)-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
CID 28822745
(2S,4R)-1-benzyl-4-[(3-methoxyphenyl)methylamino]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 126465083
(2S,4R)-1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-4-[(3-methylphenyl)methylamino]pyrrolidine-2-carboxamide
CID 29256708
(2S,4S)-1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-4-[(3-methylphenyl)methylamino]pyrrolidine-2-carboxamide
CID 45183133
(2S,4R)-4-[(2-methyl-3-phenylprop-2-enyl)amino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
CID 91940254
(2S,4S)-4-(benzylamino)-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide
CID 45222870
N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560905
N-[(3-methylphenyl)methyl]cyclopentanamine;oxalic acid
CID 163327213
(2S,4S)-N-ethyl-4-[(4-methylsulfanylphenyl)methylamino]-1-propan-2-ylpyrrolidine-2-carboxamide
CID 45223108

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[(3-methylphenyl)methylamino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-[(3-methylphenyl)methylamino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide (CID 29152058) is (2S,4R)-4-[(3-methylphenyl)methylamino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-[(3-methylphenyl)methylamino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-[(3-methylphenyl)methylamino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide is Cc1cccc(CN[C@@H]2C[C@@H](C(=O)NC(C)C)N(C(C)C)C2)c1.
What is the InChIKey of (2S,4R)-4-[(3-methylphenyl)methylamino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is AMNYXXZESIJONW-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H31N3O/c1-13(2)21-19(23)18-10-17(12-22(18)14(3)4)20-11-16-8-6-7-15(5)9-16/h6-9,13-14,17-18,20H,10-12H2,1-5H3,(H,21,23)/t17-,18+/m1/s1.
What are the key properties of (2S,4R)-4-[(3-methylphenyl)methylamino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide?
(2S,4R)-4-[(3-methylphenyl)methylamino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 317.48 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[(3-methylphenyl)methylamino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 29152058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).