(2S)-2-cycloheptyloxy-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide

C18H25N5O2 — CID 99585364

IUPAC(2S)-2-cycloheptyloxy-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide
SMILESC[C@H](OC1CCCCCC1)C(=O)Nc1ccc(Cc2nn[nH]n2)cc1
InChIInChI=1S/C18H25N5O2/c1-13(25-16-6-4-2-3-5-7-16)18(24)19-15-10-8-14(9-11-15)12-17-20-22-23-21-17/h8-11,13,16H,2-7,12H2,1H3,(H,19,24)(H,20,21,22,23)/t13-/m0/s1
InChIKeyWGSUCMANZHFPMU-ZDUSSCGKSA-N
MW343.43 g/mol
LogP2.86
Rot. Bonds6

About (2S)-2-cycloheptyloxy-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide

(2S)-2-cycloheptyloxy-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide (PubChem CID 99585364) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2S)-2-cycloheptyloxy-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-cycloheptyloxy-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide
PubChem CID99585364
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(2S)-2-cycloheptyloxy-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide
SMILESC[C@H](OC1CCCCCC1)C(=O)Nc1ccc(Cc2nn[nH]n2)cc1
InChIInChI=1S/C18H25N5O2/c1-13(25-16-6-4-2-3-5-7-16)18(24)19-15-10-8-14(9-11-15)12-17-20-22-23-21-17/h8-11,13,16H,2-7,12H2,1H3,(H,19,24)(H,20,21,22,23)/t13-/m0/s1
InChIKeyWGSUCMANZHFPMU-ZDUSSCGKSA-N
XLogP2.86
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cycloheptyloxy-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-cycloheptyloxy-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide (CID 99585364) is (2S)-2-cycloheptyloxy-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-cycloheptyloxy-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-cycloheptyloxy-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide is C[C@H](OC1CCCCCC1)C(=O)Nc1ccc(Cc2nn[nH]n2)cc1.
What is the InChIKey of (2S)-2-cycloheptyloxy-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide?
The InChIKey is WGSUCMANZHFPMU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13(25-16-6-4-2-3-5-7-16)18(24)19-15-10-8-14(9-11-15)12-17-20-22-23-21-17/h8-11,13,16H,2-7,12H2,1H3,(H,19,24)(H,20,21,22,23)/t13-/m0/s1.
What are the key properties of (2S)-2-cycloheptyloxy-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide?
(2S)-2-cycloheptyloxy-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide has a molecular weight of 343.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cycloheptyloxy-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 99585364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).