N-(3-morpholin-4-ylpropyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide

C18H26N6O2 — CID 75489084

IUPACN-(3-morpholin-4-ylpropyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
SMILESCC(C)n1nnc(-c2ccc(C(=O)NCCCN3CCOCC3)cc2)n1
InChIInChI=1S/C18H26N6O2/c1-14(2)24-21-17(20-22-24)15-4-6-16(7-5-15)18(25)19-8-3-9-23-10-12-26-13-11-23/h4-7,14H,3,8-13H2,1-2H3,(H,19,25)
InChIKeyFKBICNHMGLAAHX-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.37
Rot. Bonds7

About N-(3-morpholin-4-ylpropyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide

N-(3-morpholin-4-ylpropyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide (PubChem CID 75489084) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
PubChem CID75489084
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN-(3-morpholin-4-ylpropyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
SMILESCC(C)n1nnc(-c2ccc(C(=O)NCCCN3CCOCC3)cc2)n1
InChIInChI=1S/C18H26N6O2/c1-14(2)24-21-17(20-22-24)15-4-6-16(7-5-15)18(25)19-8-3-9-23-10-12-26-13-11-23/h4-7,14H,3,8-13H2,1-2H3,(H,19,25)
InChIKeyFKBICNHMGLAAHX-UHFFFAOYSA-N
XLogP1.37
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.37
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

1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 59001075
4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 62167538
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
N-(oxolan-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75490780
N-[[(2R)-oxolan-2-yl]methyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 97497055
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028
N-(3-morpholin-4-ylpropyl)-4-(6-piperidin-1-ylpyridazin-3-yl)benzamide
CID 53098773
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
4-(3,5-dimethylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 2530378
N-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75489199

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide (CID 75489084) is N-(3-morpholin-4-ylpropyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide is CC(C)n1nnc(-c2ccc(C(=O)NCCCN3CCOCC3)cc2)n1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide?
The InChIKey is FKBICNHMGLAAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-14(2)24-21-17(20-22-24)15-4-6-16(7-5-15)18(25)19-8-3-9-23-10-12-26-13-11-23/h4-7,14H,3,8-13H2,1-2H3,(H,19,25).
What are the key properties of N-(3-morpholin-4-ylpropyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide?
N-(3-morpholin-4-ylpropyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide has a molecular weight of 358.45 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide is sourced from PubChem (CID 75489084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).