N-(3-hydroxy-3-phenylpropyl)-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide

C20H30N6O3 — CID 45215800

IUPACN-(3-hydroxy-3-phenylpropyl)-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide
SMILESCN(CCC(O)c1ccccc1)C(=O)CCCn1nnnc1CN1CCOCC1
InChIInChI=1S/C20H30N6O3/c1-24(11-9-18(27)17-6-3-2-4-7-17)20(28)8-5-10-26-19(21-22-23-26)16-25-12-14-29-15-13-25/h2-4,6-7,18,27H,5,8-16H2,1H3
InChIKeyZJJBZTXIKWVABG-UHFFFAOYSA-N
MW402.50 g/mol
LogP0.87
Rot. Bonds10

About N-(3-hydroxy-3-phenylpropyl)-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide

N-(3-hydroxy-3-phenylpropyl)-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide (PubChem CID 45215800) has the molecular formula C20H30N6O3 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide
PubChem CID45215800
Molecular FormulaC20H30N6O3
Molecular Weight402.50 g/mol
Exact Mass402.24
IUPAC NameN-(3-hydroxy-3-phenylpropyl)-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide
SMILESCN(CCC(O)c1ccccc1)C(=O)CCCn1nnnc1CN1CCOCC1
InChIInChI=1S/C20H30N6O3/c1-24(11-9-18(27)17-6-3-2-4-7-17)20(28)8-5-10-26-19(21-22-23-26)16-25-12-14-29-15-13-25/h2-4,6-7,18,27H,5,8-16H2,1H3
InChIKeyZJJBZTXIKWVABG-UHFFFAOYSA-N
XLogP0.87
TPSA96.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-(2-hydroxy-2-phenylethyl)-N-methylacetamide
CID 45248605
2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylacetamide
CID 26400539
N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrazol-1-ylethyl)butanamide
CID 29258468
N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide
CID 26315001
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
CID 42591469
4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]butanamide
CID 31018523
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 45199802
1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 26398739
N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-oxan-2-yl]methyl]butanamide
CID 25382967
N-(cyclobutylmethyl)-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)butanamide
CID 45221297
N-[(3-methyl-4-pyridinyl)methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide
CID 72923800
4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide
CID 24819328

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide (CID 45215800) is N-(3-hydroxy-3-phenylpropyl)-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide is CN(CCC(O)c1ccccc1)C(=O)CCCn1nnnc1CN1CCOCC1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide?
The InChIKey is ZJJBZTXIKWVABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O3/c1-24(11-9-18(27)17-6-3-2-4-7-17)20(28)8-5-10-26-19(21-22-23-26)16-25-12-14-29-15-13-25/h2-4,6-7,18,27H,5,8-16H2,1H3.
What are the key properties of N-(3-hydroxy-3-phenylpropyl)-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide?
N-(3-hydroxy-3-phenylpropyl)-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide has a molecular weight of 402.50 g/mol, XLogP of 0.87, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide is sourced from PubChem (CID 45215800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).