N-[1-(3-phenylpropyl)pyrrolidin-3-yl]adamantane-1-carboxamide

C24H34N2O — CID 18411888

IUPACN-[1-(3-phenylpropyl)pyrrolidin-3-yl]adamantane-1-carboxamide
SMILESO=C(NC1CCN(CCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H34N2O/c27-23(24-14-19-11-20(15-24)13-21(12-19)16-24)25-22-8-10-26(17-22)9-4-7-18-5-2-1-3-6-18/h1-3,5-6,19-22H,4,7-17H2,(H,25,27)
InChIKeyVOJBNFJZPAQMQW-UHFFFAOYSA-N
MW366.55 g/mol
LogP4.03
Rot. Bonds6

About N-[1-(3-phenylpropyl)pyrrolidin-3-yl]adamantane-1-carboxamide

N-[1-(3-phenylpropyl)pyrrolidin-3-yl]adamantane-1-carboxamide (PubChem CID 18411888) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is N-[1-(3-phenylpropyl)pyrrolidin-3-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-phenylpropyl)pyrrolidin-3-yl]adamantane-1-carboxamide
PubChem CID18411888
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC NameN-[1-(3-phenylpropyl)pyrrolidin-3-yl]adamantane-1-carboxamide
SMILESO=C(NC1CCN(CCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H34N2O/c27-23(24-14-19-11-20(15-24)13-21(12-19)16-24)25-22-8-10-26(17-22)9-4-7-18-5-2-1-3-6-18/h1-3,5-6,19-22H,4,7-17H2,(H,25,27)
InChIKeyVOJBNFJZPAQMQW-UHFFFAOYSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(3-phenylpropyl)pyrrolidin-3-yl]adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-phenylpropyl)pyrrolidin-3-yl]adamantane-1-carboxamide?
The IUPAC name of N-[1-(3-phenylpropyl)pyrrolidin-3-yl]adamantane-1-carboxamide (CID 18411888) is N-[1-(3-phenylpropyl)pyrrolidin-3-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[1-(3-phenylpropyl)pyrrolidin-3-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[1-(3-phenylpropyl)pyrrolidin-3-yl]adamantane-1-carboxamide is O=C(NC1CCN(CCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(3-phenylpropyl)pyrrolidin-3-yl]adamantane-1-carboxamide?
The InChIKey is VOJBNFJZPAQMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O/c27-23(24-14-19-11-20(15-24)13-21(12-19)16-24)25-22-8-10-26(17-22)9-4-7-18-5-2-1-3-6-18/h1-3,5-6,19-22H,4,7-17H2,(H,25,27).
What are the key properties of N-[1-(3-phenylpropyl)pyrrolidin-3-yl]adamantane-1-carboxamide?
N-[1-(3-phenylpropyl)pyrrolidin-3-yl]adamantane-1-carboxamide has a molecular weight of 366.55 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-phenylpropyl)pyrrolidin-3-yl]adamantane-1-carboxamide is sourced from PubChem (CID 18411888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).