(1S,5S)-N-(cyclopropylmethyl)-N-methyl-3-(oxane-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

C17H26N2O3 — CID 171675875

IUPAC(1S,5S)-N-(cyclopropylmethyl)-N-methyl-3-(oxane-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCN(CC1CC1)C(=O)C1[C@H]2CN(C(=O)C3CCOCC3)C[C@H]12
InChIInChI=1S/C17H26N2O3/c1-18(8-11-2-3-11)17(21)15-13-9-19(10-14(13)15)16(20)12-4-6-22-7-5-12/h11-15H,2-10H2,1H3/t13-,14-/m0/s1
InChIKeyXKSVHDMRKHBGJR-KBPBESRZSA-N
MW306.41 g/mol
LogP0.99
Rot. Bonds4

About (1S,5S)-N-(cyclopropylmethyl)-N-methyl-3-(oxane-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1S,5S)-N-(cyclopropylmethyl)-N-methyl-3-(oxane-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 171675875) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (1S,5S)-N-(cyclopropylmethyl)-N-methyl-3-(oxane-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5S)-N-(cyclopropylmethyl)-N-methyl-3-(oxane-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID171675875
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(1S,5S)-N-(cyclopropylmethyl)-N-methyl-3-(oxane-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCN(CC1CC1)C(=O)C1[C@H]2CN(C(=O)C3CCOCC3)C[C@H]12
InChIInChI=1S/C17H26N2O3/c1-18(8-11-2-3-11)17(21)15-13-9-19(10-14(13)15)16(20)12-4-6-22-7-5-12/h11-15H,2-10H2,1H3/t13-,14-/m0/s1
InChIKeyXKSVHDMRKHBGJR-KBPBESRZSA-N
XLogP0.99
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,5S)-N-(cyclopropylmethyl)-N-methyl-3-(oxane-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

N-methyl-N-(oxan-4-ylmethyl)cyclohexanecarboxamide
CID 110752395
3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl(oxan-4-yl)methanone
CID 91472362
2-amino-N,6-dimethyl-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
CID 63707626
2-(4-aminocyclohexyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide
CID 55226080
[1-(oxane-4-carbonyl)azetidin-3-yl]methanesulfonyl fluoride
CID 138006201
4-[methyl(oxan-4-ylmethyl)carbamoyl]morpholine-2-carboxylic acid
CID 63706904
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 129367608
(3S)-N-methyl-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 81140981
[3-(methylaminomethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 61205442
cis-(1R,3S)-2,2-dimethyl-3-[methyl(oxan-4-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114092348
(3S)-1-cycloheptyl-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide
CID 42395113
(1S,5R)-N,N-diethyl-6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 56905644

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-N-(cyclopropylmethyl)-N-methyl-3-(oxane-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5S)-N-(cyclopropylmethyl)-N-methyl-3-(oxane-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 171675875) is (1S,5S)-N-(cyclopropylmethyl)-N-methyl-3-(oxane-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5S)-N-(cyclopropylmethyl)-N-methyl-3-(oxane-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5S)-N-(cyclopropylmethyl)-N-methyl-3-(oxane-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is CN(CC1CC1)C(=O)C1[C@H]2CN(C(=O)C3CCOCC3)C[C@H]12.
What is the InChIKey of (1S,5S)-N-(cyclopropylmethyl)-N-methyl-3-(oxane-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is XKSVHDMRKHBGJR-KBPBESRZSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-18(8-11-2-3-11)17(21)15-13-9-19(10-14(13)15)16(20)12-4-6-22-7-5-12/h11-15H,2-10H2,1H3/t13-,14-/m0/s1.
What are the key properties of (1S,5S)-N-(cyclopropylmethyl)-N-methyl-3-(oxane-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1S,5S)-N-(cyclopropylmethyl)-N-methyl-3-(oxane-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-N-(cyclopropylmethyl)-N-methyl-3-(oxane-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 171675875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).