N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-(5-morpholin-4-yltetrazol-2-yl)acetamide

C18H25N7O3 — CID 90595407

IUPACN-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-(5-morpholin-4-yltetrazol-2-yl)acetamide
SMILESCOC1CCN(c2ccc(NC(=O)Cn3nnc(N4CCOCC4)n3)cc2)C1
InChIInChI=1S/C18H25N7O3/c1-27-16-6-7-24(12-16)15-4-2-14(3-5-15)19-17(26)13-25-21-18(20-22-25)23-8-10-28-11-9-23/h2-5,16H,6-13H2,1H3,(H,19,26)
InChIKeyUPIHQQZSESBDCE-UHFFFAOYSA-N
MW387.44 g/mol
LogP0.37
Rot. Bonds6

About N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-(5-morpholin-4-yltetrazol-2-yl)acetamide

N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-(5-morpholin-4-yltetrazol-2-yl)acetamide (PubChem CID 90595407) has the molecular formula C18H25N7O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-(5-morpholin-4-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-(5-morpholin-4-yltetrazol-2-yl)acetamide
PubChem CID90595407
Molecular FormulaC18H25N7O3
Molecular Weight387.44 g/mol
Exact Mass387.20
IUPAC NameN-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-(5-morpholin-4-yltetrazol-2-yl)acetamide
SMILESCOC1CCN(c2ccc(NC(=O)Cn3nnc(N4CCOCC4)n3)cc2)C1
InChIInChI=1S/C18H25N7O3/c1-27-16-6-7-24(12-16)15-4-2-14(3-5-15)19-17(26)13-25-21-18(20-22-25)23-8-10-28-11-9-23/h2-5,16H,6-13H2,1H3,(H,19,26)
InChIKeyUPIHQQZSESBDCE-UHFFFAOYSA-N
XLogP0.37
TPSA97.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-indol-1-yl-N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]acetamide
CID 97427649
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
CID 97427532
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]pentanamide
CID 97427535
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]cyclopentanecarboxamide
CID 71809591
N-(4-fluorophenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
CID 1166105
2-(benzotriazol-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141698
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 71809763
2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141493
1-acetyl-N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]piperidine-4-carboxamide
CID 97427651
2-[(R)-[2-(4-methoxyanilino)-2-oxoethyl]sulfinyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 51686054
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2125723

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-(5-morpholin-4-yltetrazol-2-yl)acetamide?
The IUPAC name of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-(5-morpholin-4-yltetrazol-2-yl)acetamide (CID 90595407) is N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-(5-morpholin-4-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-(5-morpholin-4-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-(5-morpholin-4-yltetrazol-2-yl)acetamide is COC1CCN(c2ccc(NC(=O)Cn3nnc(N4CCOCC4)n3)cc2)C1.
What is the InChIKey of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-(5-morpholin-4-yltetrazol-2-yl)acetamide?
The InChIKey is UPIHQQZSESBDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O3/c1-27-16-6-7-24(12-16)15-4-2-14(3-5-15)19-17(26)13-25-21-18(20-22-25)23-8-10-28-11-9-23/h2-5,16H,6-13H2,1H3,(H,19,26).
What are the key properties of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-(5-morpholin-4-yltetrazol-2-yl)acetamide?
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-(5-morpholin-4-yltetrazol-2-yl)acetamide has a molecular weight of 387.44 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-(5-morpholin-4-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 90595407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).