(3R,5R)-3,5-dimethyl-N-propyladamantane-1-carboxamide

C16H27NO — CID 98075814

IUPAC(3R,5R)-3,5-dimethyl-N-propyladamantane-1-carboxamide
SMILESCCCNC(=O)C12CC3C[C@@](C)(C1)C[C@@](C)(C3)C2
InChIInChI=1S/C16H27NO/c1-4-5-17-13(18)16-8-12-6-14(2,10-16)9-15(3,7-12)11-16/h12H,4-11H2,1-3H3,(H,17,18)/t12?,14-,15-,16?/m1/s1
InChIKeyVITZOZFJARCLCR-OYPFRJMLSA-N
MW249.40 g/mol
LogP3.51
Rot. Bonds3

About (3R,5R)-3,5-dimethyl-N-propyladamantane-1-carboxamide

(3R,5R)-3,5-dimethyl-N-propyladamantane-1-carboxamide (PubChem CID 98075814) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (3R,5R)-3,5-dimethyl-N-propyladamantane-1-carboxamide.

Molecular Properties

Compound Name(3R,5R)-3,5-dimethyl-N-propyladamantane-1-carboxamide
PubChem CID98075814
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(3R,5R)-3,5-dimethyl-N-propyladamantane-1-carboxamide
SMILESCCCNC(=O)C12CC3C[C@@](C)(C1)C[C@@](C)(C3)C2
InChIInChI=1S/C16H27NO/c1-4-5-17-13(18)16-8-12-6-14(2,10-16)9-15(3,7-12)11-16/h12H,4-11H2,1-3H3,(H,17,18)/t12?,14-,15-,16?/m1/s1
InChIKeyVITZOZFJARCLCR-OYPFRJMLSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide
CID 107318418
3,5-dimethyl-N-[3-(methylamino)propyl]adamantane-1-carboxamide;hydrochloride
CID 119430118
N-(5-bromopentyl)-3,5-dimethyladamantane-1-carboxamide
CID 107322108
N-(2-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide
CID 115700827
methyl 2-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]acetate
CID 27194648
(3R,5S)-3,5-dimethyl-N-prop-2-enyladamantane-1-carboxamide
CID 97170508
3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)adamantane-1-carboxamide;hydrochloride
CID 119534060
N-(3-chloro-2,2-dimethylpropyl)-3,5-dimethyladamantane-1-carboxamide
CID 115364559
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3,5-dimethyladamantane-1-carboxamide
CID 80718925
(3S,5S)-N-[(4-hydroxyphenyl)methyl]-3,5-dimethyladamantane-1-carboxamide
CID 98237435
N-[(4-hydroxyphenyl)methyl]-3,5-dimethyladamantane-1-carboxamide
CID 46982222
(3R,5S)-3,5-dimethyl-N-propan-2-yladamantane-1-carboxamide
CID 92532292

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3,5-dimethyl-N-propyladamantane-1-carboxamide?
The IUPAC name of (3R,5R)-3,5-dimethyl-N-propyladamantane-1-carboxamide (CID 98075814) is (3R,5R)-3,5-dimethyl-N-propyladamantane-1-carboxamide.
What is the SMILES notation for (3R,5R)-3,5-dimethyl-N-propyladamantane-1-carboxamide?
The canonical SMILES for (3R,5R)-3,5-dimethyl-N-propyladamantane-1-carboxamide is CCCNC(=O)C12CC3C[C@@](C)(C1)C[C@@](C)(C3)C2.
What is the InChIKey of (3R,5R)-3,5-dimethyl-N-propyladamantane-1-carboxamide?
The InChIKey is VITZOZFJARCLCR-OYPFRJMLSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-5-17-13(18)16-8-12-6-14(2,10-16)9-15(3,7-12)11-16/h12H,4-11H2,1-3H3,(H,17,18)/t12?,14-,15-,16?/m1/s1.
What are the key properties of (3R,5R)-3,5-dimethyl-N-propyladamantane-1-carboxamide?
(3R,5R)-3,5-dimethyl-N-propyladamantane-1-carboxamide has a molecular weight of 249.40 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3,5-dimethyl-N-propyladamantane-1-carboxamide is sourced from PubChem (CID 98075814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).