3-[1-[4-(dimethylamino)-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-(2-hydroxyethyl)-3-methoxy-2-methylpropanamide

C22H43N3O5 — CID 155418015

IUPAC3-[1-[4-(dimethylamino)-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-(2-hydroxyethyl)-3-methoxy-2-methylpropanamide
SMILESCCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NCCO)OC)N(C)C
InChIInChI=1S/C22H43N3O5/c1-8-15(2)20(24(4)5)18(29-6)14-19(27)25-12-9-10-17(25)21(30-7)16(3)22(28)23-11-13-26/h15-18,20-21,26H,8-14H2,1-7H3,(H,23,28)
InChIKeyRTUVAUORLHGBOY-UHFFFAOYSA-N
MW429.60 g/mol
LogP1.12
Rot. Bonds13

About 3-[1-[4-(dimethylamino)-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-(2-hydroxyethyl)-3-methoxy-2-methylpropanamide

3-[1-[4-(dimethylamino)-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-(2-hydroxyethyl)-3-methoxy-2-methylpropanamide (PubChem CID 155418015) has the molecular formula C22H43N3O5 and a molecular weight of 429.60 g/mol. Its IUPAC name is 3-[1-[4-(dimethylamino)-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-(2-hydroxyethyl)-3-methoxy-2-methylpropanamide.

Molecular Properties

Compound Name3-[1-[4-(dimethylamino)-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-(2-hydroxyethyl)-3-methoxy-2-methylpropanamide
PubChem CID155418015
Molecular FormulaC22H43N3O5
Molecular Weight429.60 g/mol
Exact Mass429.32
IUPAC Name3-[1-[4-(dimethylamino)-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-(2-hydroxyethyl)-3-methoxy-2-methylpropanamide
SMILESCCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NCCO)OC)N(C)C
InChIInChI=1S/C22H43N3O5/c1-8-15(2)20(24(4)5)18(29-6)14-19(27)25-12-9-10-17(25)21(30-7)16(3)22(28)23-11-13-26/h15-18,20-21,26H,8-14H2,1-7H3,(H,23,28)
InChIKeyRTUVAUORLHGBOY-UHFFFAOYSA-N
XLogP1.12
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.60
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(dimethylamino)-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-(2-hydroxyethyl)-3-methoxy-2-methylpropanamide?
The IUPAC name of 3-[1-[4-(dimethylamino)-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-(2-hydroxyethyl)-3-methoxy-2-methylpropanamide (CID 155418015) is 3-[1-[4-(dimethylamino)-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-(2-hydroxyethyl)-3-methoxy-2-methylpropanamide.
What is the SMILES notation for 3-[1-[4-(dimethylamino)-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-(2-hydroxyethyl)-3-methoxy-2-methylpropanamide?
The canonical SMILES for 3-[1-[4-(dimethylamino)-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-(2-hydroxyethyl)-3-methoxy-2-methylpropanamide is CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NCCO)OC)N(C)C.
What is the InChIKey of 3-[1-[4-(dimethylamino)-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-(2-hydroxyethyl)-3-methoxy-2-methylpropanamide?
The InChIKey is RTUVAUORLHGBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3O5/c1-8-15(2)20(24(4)5)18(29-6)14-19(27)25-12-9-10-17(25)21(30-7)16(3)22(28)23-11-13-26/h15-18,20-21,26H,8-14H2,1-7H3,(H,23,28).
What are the key properties of 3-[1-[4-(dimethylamino)-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-(2-hydroxyethyl)-3-methoxy-2-methylpropanamide?
3-[1-[4-(dimethylamino)-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-(2-hydroxyethyl)-3-methoxy-2-methylpropanamide has a molecular weight of 429.60 g/mol, XLogP of 1.12, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(dimethylamino)-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-(2-hydroxyethyl)-3-methoxy-2-methylpropanamide is sourced from PubChem (CID 155418015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).