3-[(1R,5S)-8-[2-[cyclohexylmethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide

C26H37N7O2 — CID 155527675

IUPAC3-[(1R,5S)-8-[2-[cyclohexylmethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESNC(=O)c1cccc(C2C[C@H]3CC[C@@H](C2)N3CCN(CC2CCCCC2)C(=O)Cc2nn[nH]n2)c1
InChIInChI=1S/C26H37N7O2/c27-26(35)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)33(22)12-11-32(17-18-5-2-1-3-6-18)25(34)16-24-28-30-31-29-24/h4,7-8,13,18,21-23H,1-3,5-6,9-12,14-17H2,(H2,27,35)(H,28,29,30,31)/t21?,22-,23+
InChIKeyHNHKFDUWJZKHPK-NOTZXAQLSA-N
MW479.63 g/mol
LogP2.66
Rot. Bonds9

About 3-[(1R,5S)-8-[2-[cyclohexylmethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide

3-[(1R,5S)-8-[2-[cyclohexylmethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide (PubChem CID 155527675) has the molecular formula C26H37N7O2 and a molecular weight of 479.63 g/mol. Its IUPAC name is 3-[(1R,5S)-8-[2-[cyclohexylmethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide.

Molecular Properties

Compound Name3-[(1R,5S)-8-[2-[cyclohexylmethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
PubChem CID155527675
Molecular FormulaC26H37N7O2
Molecular Weight479.63 g/mol
Exact Mass479.30
IUPAC Name3-[(1R,5S)-8-[2-[cyclohexylmethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESNC(=O)c1cccc(C2C[C@H]3CC[C@@H](C2)N3CCN(CC2CCCCC2)C(=O)Cc2nn[nH]n2)c1
InChIInChI=1S/C26H37N7O2/c27-26(35)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)33(22)12-11-32(17-18-5-2-1-3-6-18)25(34)16-24-28-30-31-29-24/h4,7-8,13,18,21-23H,1-3,5-6,9-12,14-17H2,(H2,27,35)(H,28,29,30,31)/t21?,22-,23+
InChIKeyHNHKFDUWJZKHPK-NOTZXAQLSA-N
XLogP2.66
TPSA121.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(1R,5S)-8-[2-[cyclohexylmethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,5S)-8-[2-[cyclohexylmethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The IUPAC name of 3-[(1R,5S)-8-[2-[cyclohexylmethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide (CID 155527675) is 3-[(1R,5S)-8-[2-[cyclohexylmethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide.
What is the SMILES notation for 3-[(1R,5S)-8-[2-[cyclohexylmethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The canonical SMILES for 3-[(1R,5S)-8-[2-[cyclohexylmethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide is NC(=O)c1cccc(C2C[C@H]3CC[C@@H](C2)N3CCN(CC2CCCCC2)C(=O)Cc2nn[nH]n2)c1.
What is the InChIKey of 3-[(1R,5S)-8-[2-[cyclohexylmethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The InChIKey is HNHKFDUWJZKHPK-NOTZXAQLSA-N. The full InChI is InChI=1S/C26H37N7O2/c27-26(35)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)33(22)12-11-32(17-18-5-2-1-3-6-18)25(34)16-24-28-30-31-29-24/h4,7-8,13,18,21-23H,1-3,5-6,9-12,14-17H2,(H2,27,35)(H,28,29,30,31)/t21?,22-,23+.
What are the key properties of 3-[(1R,5S)-8-[2-[cyclohexylmethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
3-[(1R,5S)-8-[2-[cyclohexylmethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide has a molecular weight of 479.63 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,5S)-8-[2-[cyclohexylmethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide is sourced from PubChem (CID 155527675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).