(3R,5S)-3,5-dimethyl-N-propan-2-yladamantane-1-carboxamide

C16H27NO — CID 92532292

IUPAC(3R,5S)-3,5-dimethyl-N-propan-2-yladamantane-1-carboxamide
SMILESCC(C)NC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2
InChIInChI=1S/C16H27NO/c1-11(2)17-13(18)16-7-12-5-14(3,9-16)8-15(4,6-12)10-16/h11-12H,5-10H2,1-4H3,(H,17,18)/t12?,14-,15+,16?
InChIKeyAWQYXNIHVHNZDE-PYCGDYPRSA-N
MW249.40 g/mol
LogP3.51
Rot. Bonds2

About (3R,5S)-3,5-dimethyl-N-propan-2-yladamantane-1-carboxamide

(3R,5S)-3,5-dimethyl-N-propan-2-yladamantane-1-carboxamide (PubChem CID 92532292) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (3R,5S)-3,5-dimethyl-N-propan-2-yladamantane-1-carboxamide.

Molecular Properties

Compound Name(3R,5S)-3,5-dimethyl-N-propan-2-yladamantane-1-carboxamide
PubChem CID92532292
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(3R,5S)-3,5-dimethyl-N-propan-2-yladamantane-1-carboxamide
SMILESCC(C)NC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2
InChIInChI=1S/C16H27NO/c1-11(2)17-13(18)16-7-12-5-14(3,9-16)8-15(4,6-12)10-16/h11-12H,5-10H2,1-4H3,(H,17,18)/t12?,14-,15+,16?
InChIKeyAWQYXNIHVHNZDE-PYCGDYPRSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyladamantane-1-carboxamide
CID 79998676
N-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide
CID 146427466
N-(4-aminobutan-2-yl)-3,5-dimethyladamantane-1-carboxamide
CID 79998668
(2R)-2-[(3,5-dimethyladamantane-1-carbonyl)amino]-3-hydroxypropanoic acid
CID 80752979
N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyladamantane-1-carboxamide
CID 103919782
3,5-dimethyl-N-(1-phenylethyl)adamantane-1-carboxamide
CID 112759840
(3R,5R)-3,5-dimethyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]adamantane-1-carboxamide
CID 98357532
3,5-dimethyl-N-[1-(4-propan-2-ylphenyl)propyl]adamantane-1-carboxamide
CID 19580412
(3R,5R)-3,5-dimethyl-N-propyladamantane-1-carboxamide
CID 98075814
N-(3-hydroxycyclobutyl)-3,5-dimethyladamantane-1-carboxamide
CID 79998220
(2R)-2-[(3,5-dimethyladamantane-1-carbonyl)amino]-3-phenylpropanoic acid
CID 164674091
3,5-dimethyl-N-pyrrolidin-3-yladamantane-1-carboxamide
CID 79997798

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3,5-dimethyl-N-propan-2-yladamantane-1-carboxamide?
The IUPAC name of (3R,5S)-3,5-dimethyl-N-propan-2-yladamantane-1-carboxamide (CID 92532292) is (3R,5S)-3,5-dimethyl-N-propan-2-yladamantane-1-carboxamide.
What is the SMILES notation for (3R,5S)-3,5-dimethyl-N-propan-2-yladamantane-1-carboxamide?
The canonical SMILES for (3R,5S)-3,5-dimethyl-N-propan-2-yladamantane-1-carboxamide is CC(C)NC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2.
What is the InChIKey of (3R,5S)-3,5-dimethyl-N-propan-2-yladamantane-1-carboxamide?
The InChIKey is AWQYXNIHVHNZDE-PYCGDYPRSA-N. The full InChI is InChI=1S/C16H27NO/c1-11(2)17-13(18)16-7-12-5-14(3,9-16)8-15(4,6-12)10-16/h11-12H,5-10H2,1-4H3,(H,17,18)/t12?,14-,15+,16?.
What are the key properties of (3R,5S)-3,5-dimethyl-N-propan-2-yladamantane-1-carboxamide?
(3R,5S)-3,5-dimethyl-N-propan-2-yladamantane-1-carboxamide has a molecular weight of 249.40 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3,5-dimethyl-N-propan-2-yladamantane-1-carboxamide is sourced from PubChem (CID 92532292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).