(2S)-N-(4-methoxyphenyl)-1-(3-propan-2-yloxypropanoyl)pyrrolidine-2-carboxamide

C18H26N2O4 — CID 94820189

IUPAC(2S)-N-(4-methoxyphenyl)-1-(3-propan-2-yloxypropanoyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CCOC(C)C)cc1
InChIInChI=1S/C18H26N2O4/c1-13(2)24-12-10-17(21)20-11-4-5-16(20)18(22)19-14-6-8-15(23-3)9-7-14/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,19,22)/t16-/m0/s1
InChIKeyXMZPOUCQTWMPTI-INIZCTEOSA-N
MW334.42 g/mol
LogP2.44
Rot. Bonds7

About (2S)-N-(4-methoxyphenyl)-1-(3-propan-2-yloxypropanoyl)pyrrolidine-2-carboxamide

(2S)-N-(4-methoxyphenyl)-1-(3-propan-2-yloxypropanoyl)pyrrolidine-2-carboxamide (PubChem CID 94820189) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is (2S)-N-(4-methoxyphenyl)-1-(3-propan-2-yloxypropanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-methoxyphenyl)-1-(3-propan-2-yloxypropanoyl)pyrrolidine-2-carboxamide
PubChem CID94820189
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name(2S)-N-(4-methoxyphenyl)-1-(3-propan-2-yloxypropanoyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CCOC(C)C)cc1
InChIInChI=1S/C18H26N2O4/c1-13(2)24-12-10-17(21)20-11-4-5-16(20)18(22)19-14-6-8-15(23-3)9-7-14/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,19,22)/t16-/m0/s1
InChIKeyXMZPOUCQTWMPTI-INIZCTEOSA-N
XLogP2.44
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methoxyphenyl)-1-(3-propan-2-yloxypropanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-methoxyphenyl)-1-(3-propan-2-yloxypropanoyl)pyrrolidine-2-carboxamide (CID 94820189) is (2S)-N-(4-methoxyphenyl)-1-(3-propan-2-yloxypropanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-methoxyphenyl)-1-(3-propan-2-yloxypropanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-methoxyphenyl)-1-(3-propan-2-yloxypropanoyl)pyrrolidine-2-carboxamide is COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CCOC(C)C)cc1.
What is the InChIKey of (2S)-N-(4-methoxyphenyl)-1-(3-propan-2-yloxypropanoyl)pyrrolidine-2-carboxamide?
The InChIKey is XMZPOUCQTWMPTI-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-13(2)24-12-10-17(21)20-11-4-5-16(20)18(22)19-14-6-8-15(23-3)9-7-14/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,19,22)/t16-/m0/s1.
What are the key properties of (2S)-N-(4-methoxyphenyl)-1-(3-propan-2-yloxypropanoyl)pyrrolidine-2-carboxamide?
(2S)-N-(4-methoxyphenyl)-1-(3-propan-2-yloxypropanoyl)pyrrolidine-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methoxyphenyl)-1-(3-propan-2-yloxypropanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 94820189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).