(2R,6R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2,6-dimethylazepane-1-carboxamide

C16H32N2O2 — CID 124865148

IUPAC(2R,6R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2,6-dimethylazepane-1-carboxamide
SMILESC[C@@H]1CCC[C@@H](C)N(C(=O)NCC(C)(C)C[C@H](C)O)C1
InChIInChI=1S/C16H32N2O2/c1-12-7-6-8-13(2)18(10-12)15(20)17-11-16(4,5)9-14(3)19/h12-14,19H,6-11H2,1-5H3,(H,17,20)/t12-,13-,14+/m1/s1
InChIKeyWPBMMWDFEAVQHA-MCIONIFRSA-N
MW284.44 g/mol
LogP3.00
Rot. Bonds4

About (2R,6R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2,6-dimethylazepane-1-carboxamide

(2R,6R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2,6-dimethylazepane-1-carboxamide (PubChem CID 124865148) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is (2R,6R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2,6-dimethylazepane-1-carboxamide.

Molecular Properties

Compound Name(2R,6R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2,6-dimethylazepane-1-carboxamide
PubChem CID124865148
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name(2R,6R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2,6-dimethylazepane-1-carboxamide
SMILESC[C@@H]1CCC[C@@H](C)N(C(=O)NCC(C)(C)C[C@H](C)O)C1
InChIInChI=1S/C16H32N2O2/c1-12-7-6-8-13(2)18(10-12)15(20)17-11-16(4,5)9-14(3)19/h12-14,19H,6-11H2,1-5H3,(H,17,20)/t12-,13-,14+/m1/s1
InChIKeyWPBMMWDFEAVQHA-MCIONIFRSA-N
XLogP3.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R,6R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2,6-dimethylazepane-1-carboxamide with MolForge

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Related Compounds

N-(4-hydroxy-2,2-dimethylpentyl)-3-methylpiperidine-1-carboxamide
CID 111507279
N-(4-hydroxy-2,2-dimethylpentyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 111507564
N-(4-hydroxy-2,2-dimethylpentyl)-4-methylpiperidine-1-carboxamide
CID 111507377
(2S,6S)-N-(5-hydroxy-4,4-dimethylpentyl)-2,6-dimethylazepane-1-carboxamide
CID 97048775
N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 111507392
N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)piperidine-1-carboxamide
CID 111507311
1-(2,6-dimethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 119792033
4-[(2,5-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 81070060
4-(cyclopropylmethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide
CID 111507440
N-(4-hydroxy-2,2-dimethylpentyl)thiomorpholine-4-carboxamide
CID 111507324
N-(4-hydroxy-2,2-dimethylpentyl)-1-propanoylpiperidine-2-carboxamide
CID 111480417
N-(4-hydroxy-2,2-dimethylpentyl)-2,2,3,3-tetramethylazetidine-1-carboxamide
CID 111619014

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2,6-dimethylazepane-1-carboxamide?
The IUPAC name of (2R,6R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2,6-dimethylazepane-1-carboxamide (CID 124865148) is (2R,6R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2,6-dimethylazepane-1-carboxamide.
What is the SMILES notation for (2R,6R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2,6-dimethylazepane-1-carboxamide?
The canonical SMILES for (2R,6R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2,6-dimethylazepane-1-carboxamide is C[C@@H]1CCC[C@@H](C)N(C(=O)NCC(C)(C)C[C@H](C)O)C1.
What is the InChIKey of (2R,6R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2,6-dimethylazepane-1-carboxamide?
The InChIKey is WPBMMWDFEAVQHA-MCIONIFRSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12-7-6-8-13(2)18(10-12)15(20)17-11-16(4,5)9-14(3)19/h12-14,19H,6-11H2,1-5H3,(H,17,20)/t12-,13-,14+/m1/s1.
What are the key properties of (2R,6R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2,6-dimethylazepane-1-carboxamide?
(2R,6R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2,6-dimethylazepane-1-carboxamide has a molecular weight of 284.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2,6-dimethylazepane-1-carboxamide is sourced from PubChem (CID 124865148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).