N-[(1S)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide

C17H23N5O3 — CID 94028872

IUPACN-[(1S)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
SMILESCOc1cc([C@H](C)NC(=O)Cn2cnnn2)ccc1OC1CCCC1
InChIInChI=1S/C17H23N5O3/c1-12(19-17(23)10-22-11-18-20-21-22)13-7-8-15(16(9-13)24-2)25-14-5-3-4-6-14/h7-9,11-12,14H,3-6,10H2,1-2H3,(H,19,23)/t12-/m0/s1
InChIKeyRVWSIGDXLGVHGI-LBPRGKRZSA-N
MW345.40 g/mol
LogP1.88
Rot. Bonds7

About N-[(1S)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide

N-[(1S)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 94028872) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(1S)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
PubChem CID94028872
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-[(1S)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
SMILESCOc1cc([C@H](C)NC(=O)Cn2cnnn2)ccc1OC1CCCC1
InChIInChI=1S/C17H23N5O3/c1-12(19-17(23)10-22-11-18-20-21-22)13-7-8-15(16(9-13)24-2)25-14-5-3-4-6-14/h7-9,11-12,14H,3-6,10H2,1-2H3,(H,19,23)/t12-/m0/s1
InChIKeyRVWSIGDXLGVHGI-LBPRGKRZSA-N
XLogP1.88
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]butanamide
CID 119288180
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 55745736
3-(3,4-dimethoxyphenyl)-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 119164516
2-(4-acetyl-2-methoxyphenoxy)-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]acetamide
CID 55746116
N-[(1S)-1-naphthalen-2-ylethyl]-2-(tetrazol-1-yl)acetamide
CID 51513287
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 86994806
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(dimethylamino)benzamide
CID 55780983
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(tetrazol-1-yl)butanamide
CID 122559378
5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120684986
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119721176
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 55843868
(E)-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 55745702

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide (CID 94028872) is N-[(1S)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide is COc1cc([C@H](C)NC(=O)Cn2cnnn2)ccc1OC1CCCC1.
What is the InChIKey of N-[(1S)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is RVWSIGDXLGVHGI-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-12(19-17(23)10-22-11-18-20-21-22)13-7-8-15(16(9-13)24-2)25-14-5-3-4-6-14/h7-9,11-12,14H,3-6,10H2,1-2H3,(H,19,23)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide?
N-[(1S)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 345.40 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 94028872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).