2-amino-4-methoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide

C15H28N2O2 — CID 62474098

IUPAC2-amino-4-methoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide
SMILESCOCCC(N)C(=O)NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C15H28N2O2/c1-14(2)10-5-7-15(14,3)12(9-10)17-13(18)11(16)6-8-19-4/h10-12H,5-9,16H2,1-4H3,(H,17,18)
InChIKeyKDERZQTUTAYWGX-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.68
Rot. Bonds5

About 2-amino-4-methoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide

2-amino-4-methoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide (PubChem CID 62474098) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide
PubChem CID62474098
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-amino-4-methoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide
SMILESCOCCC(N)C(=O)NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C15H28N2O2/c1-14(2)10-5-7-15(14,3)12(9-10)17-13(18)11(16)6-8-19-4/h10-12H,5-9,16H2,1-4H3,(H,17,18)
InChIKeyKDERZQTUTAYWGX-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-4-methoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-carbamoylethoxy)-N-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)propanamide
CID 4316992
Ethyl 4-[(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)amino]-4-oxobutanoate
CID 141827381
3-[3-oxo-3-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propoxy]propanamide
CID 1883595
N-(3-acetamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 2750614
3-[3-oxo-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propoxy]propanamide
CID 6580322
N-[(1S,2R,3R,4R)-3-acetamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7054045
N-[(1S,2S,3R,4R)-3-acetamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7054046
3-[3-oxo-3-[[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propoxy]propanamide
CID 7271838
N-[(1S,2R,3S,4R)-3-acetamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11868321
N-[(1S,2S,3S,4R)-3-acetamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11868322
N-[(1R,2R,3S,4R)-3-acetamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 18389890
N-[(1R,2S,3S,4R)-3-acetamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 18389891

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide?
The IUPAC name of 2-amino-4-methoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide (CID 62474098) is 2-amino-4-methoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide is COCCC(N)C(=O)NC1CC2CCC1(C)C2(C)C.
What is the InChIKey of 2-amino-4-methoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide?
The InChIKey is KDERZQTUTAYWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-14(2)10-5-7-15(14,3)12(9-10)17-13(18)11(16)6-8-19-4/h10-12H,5-9,16H2,1-4H3,(H,17,18).
What are the key properties of 2-amino-4-methoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide?
2-amino-4-methoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide has a molecular weight of 268.40 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide is sourced from PubChem (CID 62474098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).