(5S,7R)-3-chloro-N,N-diethyladamantane-1-carboxamide

C15H24ClNO — CID 767673

IUPAC(5S,7R)-3-chloro-N,N-diethyladamantane-1-carboxamide
SMILESCCN(CC)C(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2
InChIInChI=1S/C15H24ClNO/c1-3-17(4-2)13(18)14-6-11-5-12(7-14)9-15(16,8-11)10-14/h11-12H,3-10H2,1-2H3/t11-,12+,14?,15?
InChIKeySEPIYIGRCCNMSI-AVJIGQEQSA-N
MW269.82 g/mol
LogP3.43
Rot. Bonds3

About (5S,7R)-3-chloro-N,N-diethyladamantane-1-carboxamide

(5S,7R)-3-chloro-N,N-diethyladamantane-1-carboxamide (PubChem CID 767673) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is (5S,7R)-3-chloro-N,N-diethyladamantane-1-carboxamide.

Molecular Properties

Compound Name(5S,7R)-3-chloro-N,N-diethyladamantane-1-carboxamide
PubChem CID767673
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name(5S,7R)-3-chloro-N,N-diethyladamantane-1-carboxamide
SMILESCCN(CC)C(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2
InChIInChI=1S/C15H24ClNO/c1-3-17(4-2)13(18)14-6-11-5-12(7-14)9-15(16,8-11)10-14/h11-12H,3-10H2,1-2H3/t11-,12+,14?,15?
InChIKeySEPIYIGRCCNMSI-AVJIGQEQSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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CID 369222
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CID 4237171
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CID 4518041
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CID 177852058
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CID 4571359
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Frequently Asked Questions

What is the IUPAC name of (5S,7R)-3-chloro-N,N-diethyladamantane-1-carboxamide?
The IUPAC name of (5S,7R)-3-chloro-N,N-diethyladamantane-1-carboxamide (CID 767673) is (5S,7R)-3-chloro-N,N-diethyladamantane-1-carboxamide.
What is the SMILES notation for (5S,7R)-3-chloro-N,N-diethyladamantane-1-carboxamide?
The canonical SMILES for (5S,7R)-3-chloro-N,N-diethyladamantane-1-carboxamide is CCN(CC)C(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2.
What is the InChIKey of (5S,7R)-3-chloro-N,N-diethyladamantane-1-carboxamide?
The InChIKey is SEPIYIGRCCNMSI-AVJIGQEQSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-3-17(4-2)13(18)14-6-11-5-12(7-14)9-15(16,8-11)10-14/h11-12H,3-10H2,1-2H3/t11-,12+,14?,15?.
What are the key properties of (5S,7R)-3-chloro-N,N-diethyladamantane-1-carboxamide?
(5S,7R)-3-chloro-N,N-diethyladamantane-1-carboxamide has a molecular weight of 269.82 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-3-chloro-N,N-diethyladamantane-1-carboxamide is sourced from PubChem (CID 767673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).