1-(adamantane-1-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide

C22H34N2O3 — CID 55609544

IUPAC1-(adamantane-1-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C1CCCO1
InChIInChI=1S/C22H34N2O3/c1-14(19-5-3-7-27-19)23-20(25)18-4-2-6-24(18)21(26)22-11-15-8-16(12-22)10-17(9-15)13-22/h14-19H,2-13H2,1H3,(H,23,25)
InChIKeyFVAXNJUGMQJFNW-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.88
Rot. Bonds4

About 1-(adamantane-1-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide

1-(adamantane-1-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 55609544) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-(adamantane-1-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(adamantane-1-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID55609544
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name1-(adamantane-1-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C1CCCO1
InChIInChI=1S/C22H34N2O3/c1-14(19-5-3-7-27-19)23-20(25)18-4-2-6-24(18)21(26)22-11-15-8-16(12-22)10-17(9-15)13-22/h14-19H,2-13H2,1H3,(H,23,25)
InChIKeyFVAXNJUGMQJFNW-UHFFFAOYSA-N
XLogP2.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(adamantane-1-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(adamantane-1-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide (CID 55609544) is 1-(adamantane-1-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(adamantane-1-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(adamantane-1-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide is CC(NC(=O)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C1CCCO1.
What is the InChIKey of 1-(adamantane-1-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is FVAXNJUGMQJFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-14(19-5-3-7-27-19)23-20(25)18-4-2-6-24(18)21(26)22-11-15-8-16(12-22)10-17(9-15)13-22/h14-19H,2-13H2,1H3,(H,23,25).
What are the key properties of 1-(adamantane-1-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide?
1-(adamantane-1-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(adamantane-1-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55609544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).