N-[(1S,2S,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide

C14H25NO — CID 129405852

IUPACN-[(1S,2S,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide
SMILESCCCC(=O)N[C@@]1(C)[C@H]2CC[C@@H](C2)C1(C)C
InChIInChI=1S/C14H25NO/c1-5-6-12(16)15-14(4)11-8-7-10(9-11)13(14,2)3/h10-11H,5-9H2,1-4H3,(H,15,16)/t10-,11-,14-/m0/s1
InChIKeyTVIMQWIUIWNVQA-MJVIPROJSA-N
MW223.36 g/mol
LogP3.12
Rot. Bonds3

About N-[(1S,2S,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide

N-[(1S,2S,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide (PubChem CID 129405852) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[(1S,2S,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide.

Molecular Properties

Compound NameN-[(1S,2S,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide
PubChem CID129405852
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[(1S,2S,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide
SMILESCCCC(=O)N[C@@]1(C)[C@H]2CC[C@@H](C2)C1(C)C
InChIInChI=1S/C14H25NO/c1-5-6-12(16)15-14(4)11-8-7-10(9-11)13(14,2)3/h10-11H,5-9H2,1-4H3,(H,15,16)/t10-,11-,14-/m0/s1
InChIKeyTVIMQWIUIWNVQA-MJVIPROJSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1S,2S,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide with MolForge

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Launch Full Analysis

Related Compounds

cyclohexyl-[2-oxo-2-[[(1R,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium
CID 7450825
2-(cyclohexylamino)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7450824
2-(4-methylpiperazine-1,4-diium-1-yl)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7450841
2-(4-methylpiperazine-1,4-diium-1-yl)-N-[(1R,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7450843
2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 649359
2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride
CID 6603398
3-ethoxypropyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium
CID 50937702
cyclohexylmethyl-[2-oxo-2-[[(1R,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium
CID 7450784
2-(1,2,3,6-tetrahydropyridin-1-ium-1-yl)-N-[(1S,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 23308818
2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 3231487
[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]-(2-pyrrolidin-1-ium-1-ylethyl)azanium
CID 7450792
benzyl-dimethyl-[2-oxo-2-[(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]ethyl]azanium
CID 3624654

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide?
The IUPAC name of N-[(1S,2S,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide (CID 129405852) is N-[(1S,2S,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide.
What is the SMILES notation for N-[(1S,2S,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide?
The canonical SMILES for N-[(1S,2S,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide is CCCC(=O)N[C@@]1(C)[C@H]2CC[C@@H](C2)C1(C)C.
What is the InChIKey of N-[(1S,2S,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide?
The InChIKey is TVIMQWIUIWNVQA-MJVIPROJSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-6-12(16)15-14(4)11-8-7-10(9-11)13(14,2)3/h10-11H,5-9H2,1-4H3,(H,15,16)/t10-,11-,14-/m0/s1.
What are the key properties of N-[(1S,2S,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide?
N-[(1S,2S,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide has a molecular weight of 223.36 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide is sourced from PubChem (CID 129405852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).