(1S,5S)-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]bicyclo[3.1.0]hexane-6-carboxamide

C17H29NO2 — CID 98231110

IUPAC(1S,5S)-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(CNC(=O)C1[C@H]2CCC[C@H]12)CC1CCOCC1
InChIInChI=1S/C17H29NO2/c1-17(2,10-12-6-8-20-9-7-12)11-18-16(19)15-13-4-3-5-14(13)15/h12-15H,3-11H2,1-2H3,(H,18,19)/t13-,14-/m0/s1
InChIKeyUCAVKWGKFVKDKY-KBPBESRZSA-N
MW279.42 g/mol
LogP2.99
Rot. Bonds5

About (1S,5S)-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]bicyclo[3.1.0]hexane-6-carboxamide

(1S,5S)-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 98231110) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is (1S,5S)-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5S)-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID98231110
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name(1S,5S)-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(CNC(=O)C1[C@H]2CCC[C@H]12)CC1CCOCC1
InChIInChI=1S/C17H29NO2/c1-17(2,10-12-6-8-20-9-7-12)11-18-16(19)15-13-4-3-5-14(13)15/h12-15H,3-11H2,1-2H3,(H,18,19)/t13-,14-/m0/s1
InChIKeyUCAVKWGKFVKDKY-KBPBESRZSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,5S)-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]bicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

N-(3-chloro-2,2-dimethylpropyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 115364638
N-ethylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600194
N-(3-amino-2,2-dimethylpropyl)oxane-4-carboxamide
CID 115365661
(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide
CID 124567047
N-(2-hydroxy-2-propylpentyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 111750779
N-(2-amino-2-ethylbutyl)bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119640656
N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide
CID 127304188
N-(3-amino-2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide
CID 175659475
N-(2,2-difluoro-3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 104857980
N-(5-bromo-2,2-dimethylpentyl)oxane-4-carboxamide
CID 106145377
1-(7-bicyclo[4.1.0]heptanyl)-2-(oxan-4-yl)ethanone
CID 114969184
(2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide
CID 2168654

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5S)-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]bicyclo[3.1.0]hexane-6-carboxamide (CID 98231110) is (1S,5S)-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5S)-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5S)-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]bicyclo[3.1.0]hexane-6-carboxamide is CC(C)(CNC(=O)C1[C@H]2CCC[C@H]12)CC1CCOCC1.
What is the InChIKey of (1S,5S)-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is UCAVKWGKFVKDKY-KBPBESRZSA-N. The full InChI is InChI=1S/C17H29NO2/c1-17(2,10-12-6-8-20-9-7-12)11-18-16(19)15-13-4-3-5-14(13)15/h12-15H,3-11H2,1-2H3,(H,18,19)/t13-,14-/m0/s1.
What are the key properties of (1S,5S)-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]bicyclo[3.1.0]hexane-6-carboxamide?
(1S,5S)-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 279.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 98231110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).