3-amino-N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexyl-2-hydroxybutanamide

C17H30N2O2 — CID 142647883

IUPAC3-amino-N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexyl-2-hydroxybutanamide
SMILESNC(CC1CCCCC1)C(O)C(=O)NC1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C17H30N2O2/c18-14(9-11-4-2-1-3-5-11)16(20)17(21)19-15-10-12-6-7-13(15)8-12/h11-16,20H,1-10,18H2,(H,19,21)/t12-,13+,14?,15?,16?/m0/s1
InChIKeyVHQMURPHXCVISG-DKYXIQLCSA-N
MW294.44 g/mol
LogP1.95
Rot. Bonds5

About 3-amino-N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexyl-2-hydroxybutanamide

3-amino-N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexyl-2-hydroxybutanamide (PubChem CID 142647883) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-amino-N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexyl-2-hydroxybutanamide.

Molecular Properties

Compound Name3-amino-N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexyl-2-hydroxybutanamide
PubChem CID142647883
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-amino-N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexyl-2-hydroxybutanamide
SMILESNC(CC1CCCCC1)C(O)C(=O)NC1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C17H30N2O2/c18-14(9-11-4-2-1-3-5-11)16(20)17(21)19-15-10-12-6-7-13(15)8-12/h11-16,20H,1-10,18H2,(H,19,21)/t12-,13+,14?,15?,16?/m0/s1
InChIKeyVHQMURPHXCVISG-DKYXIQLCSA-N
XLogP1.95
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexyl-2-hydroxybutanamide?
The IUPAC name of 3-amino-N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexyl-2-hydroxybutanamide (CID 142647883) is 3-amino-N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexyl-2-hydroxybutanamide.
What is the SMILES notation for 3-amino-N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexyl-2-hydroxybutanamide?
The canonical SMILES for 3-amino-N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexyl-2-hydroxybutanamide is NC(CC1CCCCC1)C(O)C(=O)NC1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of 3-amino-N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexyl-2-hydroxybutanamide?
The InChIKey is VHQMURPHXCVISG-DKYXIQLCSA-N. The full InChI is InChI=1S/C17H30N2O2/c18-14(9-11-4-2-1-3-5-11)16(20)17(21)19-15-10-12-6-7-13(15)8-12/h11-16,20H,1-10,18H2,(H,19,21)/t12-,13+,14?,15?,16?/m0/s1.
What are the key properties of 3-amino-N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexyl-2-hydroxybutanamide?
3-amino-N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexyl-2-hydroxybutanamide has a molecular weight of 294.44 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexyl-2-hydroxybutanamide is sourced from PubChem (CID 142647883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).