N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide

C17H24N6O — CID 118791343

IUPACN-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide
SMILESCc1ccccc1C1CCN(CCNC(=O)CCn2cnnn2)C1
InChIInChI=1S/C17H24N6O/c1-14-4-2-3-5-16(14)15-6-9-22(12-15)11-8-18-17(24)7-10-23-13-19-20-21-23/h2-5,13,15H,6-12H2,1H3,(H,18,24)
InChIKeyYMCJWGWYHSEADC-UHFFFAOYSA-N
MW328.42 g/mol
LogP0.98
Rot. Bonds7

About N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide

N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide (PubChem CID 118791343) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide
PubChem CID118791343
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide
SMILESCc1ccccc1C1CCN(CCNC(=O)CCn2cnnn2)C1
InChIInChI=1S/C17H24N6O/c1-14-4-2-3-5-16(14)15-6-9-22(12-15)11-8-18-17(24)7-10-23-13-19-20-21-23/h2-5,13,15H,6-12H2,1H3,(H,18,24)
InChIKeyYMCJWGWYHSEADC-UHFFFAOYSA-N
XLogP0.98
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-isobutylbenzyl)-3-piperidinyl]-3-(1H-tetrazol-1-yl)propanamide
CID 24819184
N-[3-oxo-3-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propyl]cyclopentanecarboxamide
CID 38305477
N-(4-phenylcyclohexyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 40028475
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 53501554
N-[(1-phenylcyclopropyl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53586323
N-[2-(2-methylphenyl)ethyl]-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53603895
N-{[1-(2-methylbenzyl)piperidin-4-yl]methyl}-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 56705693
N-(2-phenylethyl)-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 110246470
1-[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(tetrazol-1-yl)propan-1-one
CID 25386075
N-[(1-phenylcyclopropyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 32625599
(4S)-N-(2-phenylethyl)-1-[(2E)-3-phenyl-2-propen-1-yl]-4-(1H-tetrazol-1-yl)-L-prolinamide
CID 42500218
N-[(1-phenylcyclobutyl)methyl]-2-(tetrazol-1-yl)acetamide
CID 45805579

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide (CID 118791343) is N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide is Cc1ccccc1C1CCN(CCNC(=O)CCn2cnnn2)C1.
What is the InChIKey of N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide?
The InChIKey is YMCJWGWYHSEADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-14-4-2-3-5-16(14)15-6-9-22(12-15)11-8-18-17(24)7-10-23-13-19-20-21-23/h2-5,13,15H,6-12H2,1H3,(H,18,24).
What are the key properties of N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide?
N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide has a molecular weight of 328.42 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 118791343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).