(2R)-2-(5-tert-butyltetrazol-1-yl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide

C20H31N5O3 — CID 97260054

IUPAC(2R)-2-(5-tert-butyltetrazol-1-yl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide
SMILESCCOCCOCc1cccc(CNC(=O)[C@@H](C)n2nnnc2C(C)(C)C)c1
InChIInChI=1S/C20H31N5O3/c1-6-27-10-11-28-14-17-9-7-8-16(12-17)13-21-18(26)15(2)25-19(20(3,4)5)22-23-24-25/h7-9,12,15H,6,10-11,13-14H2,1-5H3,(H,21,26)/t15-/m1/s1
InChIKeyGNZJOOAPBKHVHQ-OAHLLOKOSA-N
MW389.50 g/mol
LogP2.40
Rot. Bonds10

About (2R)-2-(5-tert-butyltetrazol-1-yl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide

(2R)-2-(5-tert-butyltetrazol-1-yl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide (PubChem CID 97260054) has the molecular formula C20H31N5O3 and a molecular weight of 389.50 g/mol. Its IUPAC name is (2R)-2-(5-tert-butyltetrazol-1-yl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(5-tert-butyltetrazol-1-yl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide
PubChem CID97260054
Molecular FormulaC20H31N5O3
Molecular Weight389.50 g/mol
Exact Mass389.24
IUPAC Name(2R)-2-(5-tert-butyltetrazol-1-yl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide
SMILESCCOCCOCc1cccc(CNC(=O)[C@@H](C)n2nnnc2C(C)(C)C)c1
InChIInChI=1S/C20H31N5O3/c1-6-27-10-11-28-14-17-9-7-8-16(12-17)13-21-18(26)15(2)25-19(20(3,4)5)22-23-24-25/h7-9,12,15H,6,10-11,13-14H2,1-5H3,(H,21,26)/t15-/m1/s1
InChIKeyGNZJOOAPBKHVHQ-OAHLLOKOSA-N
XLogP2.40
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-tert-butylphenoxy)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide
CID 55690103
(2R)-2-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119289195
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-naphthalen-1-ylacetamide
CID 39590517
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 55690197
3-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 119723077
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpent-2-enamide
CID 76868296
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 62445450
2-(2,5-dichlorophenyl)sulfanyl-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide
CID 55838058
1-tert-butyl-3-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 110965334
3-[[3-(2-ethoxyethoxymethyl)anilino]methyl]benzoic acid
CID 122029521
1-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2,3-dimethylguanidine;hydroiodide
CID 110915556
5-(2,5-dimethylpyrrol-1-yl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 60573945

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-tert-butyltetrazol-1-yl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide?
The IUPAC name of (2R)-2-(5-tert-butyltetrazol-1-yl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide (CID 97260054) is (2R)-2-(5-tert-butyltetrazol-1-yl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-(5-tert-butyltetrazol-1-yl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for (2R)-2-(5-tert-butyltetrazol-1-yl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide is CCOCCOCc1cccc(CNC(=O)[C@@H](C)n2nnnc2C(C)(C)C)c1.
What is the InChIKey of (2R)-2-(5-tert-butyltetrazol-1-yl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide?
The InChIKey is GNZJOOAPBKHVHQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H31N5O3/c1-6-27-10-11-28-14-17-9-7-8-16(12-17)13-21-18(26)15(2)25-19(20(3,4)5)22-23-24-25/h7-9,12,15H,6,10-11,13-14H2,1-5H3,(H,21,26)/t15-/m1/s1.
What are the key properties of (2R)-2-(5-tert-butyltetrazol-1-yl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide?
(2R)-2-(5-tert-butyltetrazol-1-yl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide has a molecular weight of 389.50 g/mol, XLogP of 2.40, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-tert-butyltetrazol-1-yl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 97260054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).