(2S,4R)-4-[(2-methyl-3-phenylprop-2-enyl)amino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide

C21H33N3O — CID 91940254

IUPAC(2S,4R)-4-[(2-methyl-3-phenylprop-2-enyl)amino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(=Cc1ccccc1)CN[C@@H]1C[C@@H](C(=O)NC(C)C)N(C(C)C)C1
InChIInChI=1S/C21H33N3O/c1-15(2)23-21(25)20-12-19(14-24(20)16(3)4)22-13-17(5)11-18-9-7-6-8-10-18/h6-11,15-16,19-20,22H,12-14H2,1-5H3,(H,23,25)/t19-,20+/m1/s1
InChIKeyYGGCDYKEQQWRRN-UXHICEINSA-N
MW343.51 g/mol
LogP3.06
Rot. Bonds7

About (2S,4R)-4-[(2-methyl-3-phenylprop-2-enyl)amino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide

(2S,4R)-4-[(2-methyl-3-phenylprop-2-enyl)amino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 91940254) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is (2S,4R)-4-[(2-methyl-3-phenylprop-2-enyl)amino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-[(2-methyl-3-phenylprop-2-enyl)amino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
PubChem CID91940254
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC Name(2S,4R)-4-[(2-methyl-3-phenylprop-2-enyl)amino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(=Cc1ccccc1)CN[C@@H]1C[C@@H](C(=O)NC(C)C)N(C(C)C)C1
InChIInChI=1S/C21H33N3O/c1-15(2)23-21(25)20-12-19(14-24(20)16(3)4)22-13-17(5)11-18-9-7-6-8-10-18/h6-11,15-16,19-20,22H,12-14H2,1-5H3,(H,23,25)/t19-,20+/m1/s1
InChIKeyYGGCDYKEQQWRRN-UXHICEINSA-N
XLogP3.06
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[(2-methyl-3-phenylprop-2-enyl)amino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-[(2-methyl-3-phenylprop-2-enyl)amino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide (CID 91940254) is (2S,4R)-4-[(2-methyl-3-phenylprop-2-enyl)amino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-[(2-methyl-3-phenylprop-2-enyl)amino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-[(2-methyl-3-phenylprop-2-enyl)amino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide is CC(=Cc1ccccc1)CN[C@@H]1C[C@@H](C(=O)NC(C)C)N(C(C)C)C1.
What is the InChIKey of (2S,4R)-4-[(2-methyl-3-phenylprop-2-enyl)amino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is YGGCDYKEQQWRRN-UXHICEINSA-N. The full InChI is InChI=1S/C21H33N3O/c1-15(2)23-21(25)20-12-19(14-24(20)16(3)4)22-13-17(5)11-18-9-7-6-8-10-18/h6-11,15-16,19-20,22H,12-14H2,1-5H3,(H,23,25)/t19-,20+/m1/s1.
What are the key properties of (2S,4R)-4-[(2-methyl-3-phenylprop-2-enyl)amino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide?
(2S,4R)-4-[(2-methyl-3-phenylprop-2-enyl)amino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 343.51 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[(2-methyl-3-phenylprop-2-enyl)amino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 91940254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).