N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyladamantane-1-carboxamide

C17H29NO2 — CID 103919782

IUPACN-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyladamantane-1-carboxamide
SMILESCC[C@H](CO)NC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C17H29NO2/c1-4-13(8-19)18-14(20)17-7-12-5-15(2,10-17)9-16(3,6-12)11-17/h12-13,19H,4-11H2,1-3H3,(H,18,20)/t12?,13-,15?,16?,17?/m1/s1
InChIKeyQKDOHIJUZXTCEO-BOSJHMNHSA-N
MW279.42 g/mol
LogP2.87
Rot. Bonds4

About N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyladamantane-1-carboxamide

N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyladamantane-1-carboxamide (PubChem CID 103919782) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyladamantane-1-carboxamide
PubChem CID103919782
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyladamantane-1-carboxamide
SMILESCC[C@H](CO)NC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C17H29NO2/c1-4-13(8-19)18-14(20)17-7-12-5-15(2,10-17)9-16(3,6-12)11-17/h12-13,19H,4-11H2,1-3H3,(H,18,20)/t12?,13-,15?,16?,17?/m1/s1
InChIKeyQKDOHIJUZXTCEO-BOSJHMNHSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyladamantane-1-carboxamide
CID 79998676
N-[(2S)-1-hydroxybutan-2-yl]adamantane-1-carboxamide
CID 40570555
(2R)-2-[(3,5-dimethyladamantane-1-carbonyl)amino]-3-hydroxypropanoic acid
CID 80752979
(3R,5S)-3,5-dimethyl-N-propan-2-yladamantane-1-carboxamide
CID 92532292
N-(4-aminobutan-2-yl)-3,5-dimethyladamantane-1-carboxamide
CID 79998668
3,5-dimethyl-N-[1-(4-propan-2-ylphenyl)propyl]adamantane-1-carboxamide
CID 19580412
N-[(2R)-1-hydroxybutan-2-yl]-4-methylpiperidine-4-carboxamide
CID 107221454
(3R,5R)-3,5-dimethyl-N-propyladamantane-1-carboxamide
CID 98075814
N-(2-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide
CID 115700827
(3R,5R)-3,5-dimethyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]adamantane-1-carboxamide
CID 98357532
N-(1,3-dihydroxypropan-2-yl)adamantane-1-carboxamide
CID 65315657
N-[(2R)-1-hydroxypropan-2-yl]-3-methyladamantane-1-carboxamide
CID 113402760

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyladamantane-1-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyladamantane-1-carboxamide (CID 103919782) is N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyladamantane-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyladamantane-1-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyladamantane-1-carboxamide is CC[C@H](CO)NC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyladamantane-1-carboxamide?
The InChIKey is QKDOHIJUZXTCEO-BOSJHMNHSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-13(8-19)18-14(20)17-7-12-5-15(2,10-17)9-16(3,6-12)11-17/h12-13,19H,4-11H2,1-3H3,(H,18,20)/t12?,13-,15?,16?,17?/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyladamantane-1-carboxamide?
N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyladamantane-1-carboxamide has a molecular weight of 279.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyladamantane-1-carboxamide is sourced from PubChem (CID 103919782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).