(2R)-2-methoxy-N-[4-(prop-2-enoylamino)-1-bicyclo[2.2.1]heptanyl]propanamide

C14H22N2O3 — CID 167787279

IUPAC(2R)-2-methoxy-N-[4-(prop-2-enoylamino)-1-bicyclo[2.2.1]heptanyl]propanamide
SMILESC=CC(=O)NC12CCC(NC(=O)[C@@H](C)OC)(CC1)C2
InChIInChI=1S/C14H22N2O3/c1-4-11(17)15-13-5-7-14(9-13,8-6-13)16-12(18)10(2)19-3/h4,10H,1,5-9H2,2-3H3,(H,15,17)(H,16,18)/t10-,13?,14?/m1/s1
InChIKeyDTIDGOZLLILMBE-GWMXKSKGSA-N
MW266.34 g/mol
LogP0.89
Rot. Bonds5

About (2R)-2-methoxy-N-[4-(prop-2-enoylamino)-1-bicyclo[2.2.1]heptanyl]propanamide

(2R)-2-methoxy-N-[4-(prop-2-enoylamino)-1-bicyclo[2.2.1]heptanyl]propanamide (PubChem CID 167787279) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2R)-2-methoxy-N-[4-(prop-2-enoylamino)-1-bicyclo[2.2.1]heptanyl]propanamide.

Molecular Properties

Compound Name(2R)-2-methoxy-N-[4-(prop-2-enoylamino)-1-bicyclo[2.2.1]heptanyl]propanamide
PubChem CID167787279
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(2R)-2-methoxy-N-[4-(prop-2-enoylamino)-1-bicyclo[2.2.1]heptanyl]propanamide
SMILESC=CC(=O)NC12CCC(NC(=O)[C@@H](C)OC)(CC1)C2
InChIInChI=1S/C14H22N2O3/c1-4-11(17)15-13-5-7-14(9-13,8-6-13)16-12(18)10(2)19-3/h4,10H,1,5-9H2,2-3H3,(H,15,17)(H,16,18)/t10-,13?,14?/m1/s1
InChIKeyDTIDGOZLLILMBE-GWMXKSKGSA-N
XLogP0.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2R)-2-methoxy-N-[4-(prop-2-enoylamino)-1-bicyclo[2.2.1]heptanyl]propanamide with MolForge

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Related Compounds

4-(prop-2-enoylamino)bicyclo[2.1.1]hexane-1-carboxylic acid
CID 178000395
N-(3-propan-2-yl-1-adamantyl)prop-2-enamide
CID 15313643
N-(1-cyanocyclohexyl)-2-methoxypropanamide
CID 112685947
N-(1,3-dimethylazetidin-3-yl)-2-methoxypropanamide
CID 130667102
2-methoxy-N-prop-2-enylpropanamide
CID 100983783
3-(2-methoxypropanoylamino)thiolane-3-carboxylic acid
CID 115910263
1-(2-methoxypropanoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 115910033
N-(4,4-dimethylcyclohexyl)-2-methoxypropanamide
CID 115647055
N-(1-hydroxycyclohexyl)prop-2-enamide
CID 18433901
2-methoxy-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide
CID 103742368
N-[2-methoxy-3-(prop-2-enoylamino)propyl]prop-2-enamide
CID 129044196
1,1-dimethoxyethane;N-(2-oxoethyl)prop-2-enamide
CID 87223904

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-N-[4-(prop-2-enoylamino)-1-bicyclo[2.2.1]heptanyl]propanamide?
The IUPAC name of (2R)-2-methoxy-N-[4-(prop-2-enoylamino)-1-bicyclo[2.2.1]heptanyl]propanamide (CID 167787279) is (2R)-2-methoxy-N-[4-(prop-2-enoylamino)-1-bicyclo[2.2.1]heptanyl]propanamide.
What is the SMILES notation for (2R)-2-methoxy-N-[4-(prop-2-enoylamino)-1-bicyclo[2.2.1]heptanyl]propanamide?
The canonical SMILES for (2R)-2-methoxy-N-[4-(prop-2-enoylamino)-1-bicyclo[2.2.1]heptanyl]propanamide is C=CC(=O)NC12CCC(NC(=O)[C@@H](C)OC)(CC1)C2.
What is the InChIKey of (2R)-2-methoxy-N-[4-(prop-2-enoylamino)-1-bicyclo[2.2.1]heptanyl]propanamide?
The InChIKey is DTIDGOZLLILMBE-GWMXKSKGSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-11(17)15-13-5-7-14(9-13,8-6-13)16-12(18)10(2)19-3/h4,10H,1,5-9H2,2-3H3,(H,15,17)(H,16,18)/t10-,13?,14?/m1/s1.
What are the key properties of (2R)-2-methoxy-N-[4-(prop-2-enoylamino)-1-bicyclo[2.2.1]heptanyl]propanamide?
(2R)-2-methoxy-N-[4-(prop-2-enoylamino)-1-bicyclo[2.2.1]heptanyl]propanamide has a molecular weight of 266.34 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-N-[4-(prop-2-enoylamino)-1-bicyclo[2.2.1]heptanyl]propanamide is sourced from PubChem (CID 167787279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).