N-[2-(diethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide

C18H27N3O3 — CID 51104075

IUPACN-[2-(diethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCCN(CC)C(=O)CNC(=O)N1CCC(c2ccc(OC)cc2)C1
InChIInChI=1S/C18H27N3O3/c1-4-20(5-2)17(22)12-19-18(23)21-11-10-15(13-21)14-6-8-16(24-3)9-7-14/h6-9,15H,4-5,10-13H2,1-3H3,(H,19,23)
InChIKeyBCWAVAAHXUCQQY-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.06
Rot. Bonds6

About N-[2-(diethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide

N-[2-(diethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 51104075) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID51104075
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[2-(diethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCCN(CC)C(=O)CNC(=O)N1CCC(c2ccc(OC)cc2)C1
InChIInChI=1S/C18H27N3O3/c1-4-20(5-2)17(22)12-19-18(23)21-11-10-15(13-21)14-6-8-16(24-3)9-7-14/h6-9,15H,4-5,10-13H2,1-3H3,(H,19,23)
InChIKeyBCWAVAAHXUCQQY-UHFFFAOYSA-N
XLogP2.06
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide (CID 51104075) is N-[2-(diethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide is CCN(CC)C(=O)CNC(=O)N1CCC(c2ccc(OC)cc2)C1.
What is the InChIKey of N-[2-(diethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is BCWAVAAHXUCQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-4-20(5-2)17(22)12-19-18(23)21-11-10-15(13-21)14-6-8-16(24-3)9-7-14/h6-9,15H,4-5,10-13H2,1-3H3,(H,19,23).
What are the key properties of N-[2-(diethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
N-[2-(diethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 51104075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).