N-(azetidin-3-yl)-N-propyladamantane-1-carboxamide

C17H28N2O — CID 66214651

IUPACN-(azetidin-3-yl)-N-propyladamantane-1-carboxamide
SMILESCCCN(C(=O)C12CC3CC(CC(C3)C1)C2)C1CNC1
InChIInChI=1S/C17H28N2O/c1-2-3-19(15-10-18-11-15)16(20)17-7-12-4-13(8-17)6-14(5-12)9-17/h12-15,18H,2-11H2,1H3
InChIKeyDNMQHZSTWCBHOG-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.41
Rot. Bonds4

About N-(azetidin-3-yl)-N-propyladamantane-1-carboxamide

N-(azetidin-3-yl)-N-propyladamantane-1-carboxamide (PubChem CID 66214651) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-propyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-propyladamantane-1-carboxamide
PubChem CID66214651
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(azetidin-3-yl)-N-propyladamantane-1-carboxamide
SMILESCCCN(C(=O)C12CC3CC(CC(C3)C1)C2)C1CNC1
InChIInChI=1S/C17H28N2O/c1-2-3-19(15-10-18-11-15)16(20)17-7-12-4-13(8-17)6-14(5-12)9-17/h12-15,18H,2-11H2,1H3
InChIKeyDNMQHZSTWCBHOG-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(azetidin-3-yl)-N-propylcyclopropanecarboxamide
CID 66181610
N-(azetidin-3-yl)-2-cyclohexyl-N-propylacetamide
CID 66183532
N-(azetidin-3-yl)-N-propylpyrrolidine-1-carboxamide
CID 79161145
3-(1-adamantylcarbamoylamino)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532426
N-(azetidin-3-yl)-5-bromo-N-propylthiophene-2-carboxamide
CID 66182885
N-(azetidin-3-yl)-2,3,4-trifluoro-N-propylbenzamide
CID 79749886
N-(azetidin-3-yl)-2-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 66216056
N,N-bis(2-hydroxyethyl)adamantane-1-carboxamide
CID 60653107
N-(azetidin-3-yl)-N-propyl-2-thiophen-3-ylacetamide
CID 66183322
N-[4-[adamantane-1-carbonyl(1-adamantyl)amino]cyclohexyl]-N-(1-adamantyl)adamantane-1-carboxamide
CID 171722407
N-(azetidin-3-yl)-3,4-dimethyl-N-propylbenzamide
CID 66215454
N-(azetidin-3-yl)-2-oxo-N-propyl-1,3-dihydroimidazole-4-carboxamide
CID 66181604

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-propyladamantane-1-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-N-propyladamantane-1-carboxamide (CID 66214651) is N-(azetidin-3-yl)-N-propyladamantane-1-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-N-propyladamantane-1-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-N-propyladamantane-1-carboxamide is CCCN(C(=O)C12CC3CC(CC(C3)C1)C2)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-propyladamantane-1-carboxamide?
The InChIKey is DNMQHZSTWCBHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-3-19(15-10-18-11-15)16(20)17-7-12-4-13(8-17)6-14(5-12)9-17/h12-15,18H,2-11H2,1H3.
What are the key properties of N-(azetidin-3-yl)-N-propyladamantane-1-carboxamide?
N-(azetidin-3-yl)-N-propyladamantane-1-carboxamide has a molecular weight of 276.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-propyladamantane-1-carboxamide is sourced from PubChem (CID 66214651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).