2-cyclohexyl-N-[(2S)-1-(7H-purin-6-ylamino)butan-2-yl]acetamide

C17H26N6O — CID 165416237

IUPAC2-cyclohexyl-N-[(2S)-1-(7H-purin-6-ylamino)butan-2-yl]acetamide
SMILESCC[C@@H](CNc1ncnc2nc[nH]c12)NC(=O)CC1CCCCC1
InChIInChI=1S/C17H26N6O/c1-2-13(23-14(24)8-12-6-4-3-5-7-12)9-18-16-15-17(20-10-19-15)22-11-21-16/h10-13H,2-9H2,1H3,(H,23,24)(H2,18,19,20,21,22)/t13-/m0/s1
InChIKeyDESZZRQUGKNYDX-ZDUSSCGKSA-N
MW330.44 g/mol
LogP2.63
Rot. Bonds7

About 2-cyclohexyl-N-[(2S)-1-(7H-purin-6-ylamino)butan-2-yl]acetamide

2-cyclohexyl-N-[(2S)-1-(7H-purin-6-ylamino)butan-2-yl]acetamide (PubChem CID 165416237) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(2S)-1-(7H-purin-6-ylamino)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[(2S)-1-(7H-purin-6-ylamino)butan-2-yl]acetamide
PubChem CID165416237
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name2-cyclohexyl-N-[(2S)-1-(7H-purin-6-ylamino)butan-2-yl]acetamide
SMILESCC[C@@H](CNc1ncnc2nc[nH]c12)NC(=O)CC1CCCCC1
InChIInChI=1S/C17H26N6O/c1-2-13(23-14(24)8-12-6-4-3-5-7-12)9-18-16-15-17(20-10-19-15)22-11-21-16/h10-13H,2-9H2,1H3,(H,23,24)(H2,18,19,20,21,22)/t13-/m0/s1
InChIKeyDESZZRQUGKNYDX-ZDUSSCGKSA-N
XLogP2.63
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(2S)-1-(7H-purin-6-ylamino)butan-2-yl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[(2S)-1-(7H-purin-6-ylamino)butan-2-yl]acetamide (CID 165416237) is 2-cyclohexyl-N-[(2S)-1-(7H-purin-6-ylamino)butan-2-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[(2S)-1-(7H-purin-6-ylamino)butan-2-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[(2S)-1-(7H-purin-6-ylamino)butan-2-yl]acetamide is CC[C@@H](CNc1ncnc2nc[nH]c12)NC(=O)CC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[(2S)-1-(7H-purin-6-ylamino)butan-2-yl]acetamide?
The InChIKey is DESZZRQUGKNYDX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N6O/c1-2-13(23-14(24)8-12-6-4-3-5-7-12)9-18-16-15-17(20-10-19-15)22-11-21-16/h10-13H,2-9H2,1H3,(H,23,24)(H2,18,19,20,21,22)/t13-/m0/s1.
What are the key properties of 2-cyclohexyl-N-[(2S)-1-(7H-purin-6-ylamino)butan-2-yl]acetamide?
2-cyclohexyl-N-[(2S)-1-(7H-purin-6-ylamino)butan-2-yl]acetamide has a molecular weight of 330.44 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(2S)-1-(7H-purin-6-ylamino)butan-2-yl]acetamide is sourced from PubChem (CID 165416237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).