(2S)-2-(2-methylpropoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide

C17H31NO2 — CID 124827045

IUPAC(2S)-2-(2-methylpropoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
SMILESCC(C)CO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C17H31NO2/c1-11(2)10-20-12(3)15(19)18-14-9-13-7-8-17(14,6)16(13,4)5/h11-14H,7-10H2,1-6H3,(H,18,19)/t12-,13+,14-,17+/m0/s1
InChIKeyDRANDGZSHGCCKP-QDEZUTFSSA-N
MW281.44 g/mol
LogP3.38
Rot. Bonds5

About (2S)-2-(2-methylpropoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide

(2S)-2-(2-methylpropoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide (PubChem CID 124827045) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is (2S)-2-(2-methylpropoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-methylpropoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
PubChem CID124827045
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name(2S)-2-(2-methylpropoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
SMILESCC(C)CO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C17H31NO2/c1-11(2)10-20-12(3)15(19)18-14-9-13-7-8-17(14,6)16(13,4)5/h11-14H,7-10H2,1-6H3,(H,18,19)/t12-,13+,14-,17+/m0/s1
InChIKeyDRANDGZSHGCCKP-QDEZUTFSSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(2-methylpropoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide with MolForge

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Related Compounds

(2R)-2-(2-methylpropoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
CID 124827047
(2R)-2-methoxy-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
CID 124865100
(2S)-2-hydroxy-3-methyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide
CID 72947063
3-propan-2-yloxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
CID 71942366
2-amino-4-methoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide
CID 62474098
3-(propan-2-ylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
CID 60853984
(2S)-2-hydroxy-4-methylsulfanyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide
CID 86579518
4-amino-5-oxo-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanoic acid
CID 64896788
2-bromo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 102074730
4-oxo-4-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butanoate
CID 40569957
N-propyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanamide
CID 60664094
3-methyl-5-oxo-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanoic acid
CID 62963837

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylpropoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide?
The IUPAC name of (2S)-2-(2-methylpropoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide (CID 124827045) is (2S)-2-(2-methylpropoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide.
What is the SMILES notation for (2S)-2-(2-methylpropoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide?
The canonical SMILES for (2S)-2-(2-methylpropoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide is CC(C)CO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C.
What is the InChIKey of (2S)-2-(2-methylpropoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide?
The InChIKey is DRANDGZSHGCCKP-QDEZUTFSSA-N. The full InChI is InChI=1S/C17H31NO2/c1-11(2)10-20-12(3)15(19)18-14-9-13-7-8-17(14,6)16(13,4)5/h11-14H,7-10H2,1-6H3,(H,18,19)/t12-,13+,14-,17+/m0/s1.
What are the key properties of (2S)-2-(2-methylpropoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide?
(2S)-2-(2-methylpropoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide has a molecular weight of 281.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylpropoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide is sourced from PubChem (CID 124827045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).